SCHEMBL520554

SCHEMBL520554

COc1cc(C2CCN(C)CC2)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.68
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHEK1 O14757 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29517150 1.00 QDPR (0.68) QDPRTGFBR1ACVR1KCNH2HTR1A
SCHEMBL30566990 0.91 QDPR (0.57) QDPRKCNH2HTR1AHTR1DHTR1B
SCHEMBL520088 0.88 QDPR (0.64) QDPRTGFBR1ACVR1KCNH2HTR1A
SCHEMBL20225757 0.87 ALDH1A1 (0.53) QDPRHTR2AALDH1A1CYP3A4TSHR
SCHEMBL18350611 0.86 QDPR (0.52) QDPRHTR1AALDH1A1CYP3A4TSHR
SCHEMBL310593 0.84 DRD2 (0.62) QDPRKCNH2HTR1DHTR2BHTR3A
SCHEMBL20725583 0.84 QDPR (0.49) QDPRKCNH2HTR1DHTR2BHTR3A
SCHEMBL28275718 0.84 QDPR (0.49) QDPRKCNH2HTR1AHTR1DHTR1B
SCHEMBL2204133 0.84 QDPR (0.49) QDPRALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL12705251 0.84 QDPR (0.52) QDPRTGFBR1ACVR1KCNH2CHEK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3965803-B1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS DANA FARBER CANCER INST INC (US) 2025-08-20 EP disclosed
US-12365696-B2 Small-molecule focal adhesion kinase (FAK) inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-07-22 US disclosed
EP-3640246-B1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-11-01 EP disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
EP-4143191-A2 BICYCLIC KINASE INHIBITORS AND USES THEREOF iOmx Therapeutics AG (DE) 2023-03-08 EP disclosed
US-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-08-11 US disclosed
US-20220242882-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-08-04 US disclosed
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-02-22 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 WO disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12365696-B2 Small-molecule focal adhesion kinase (FAK) inhibitors PTK2, CTTN, TNK2 QDPR 3595/4885TGFBR1 3270/4885ACVR1 3800/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 QDPR 3069/4885TGFBR1 2036/4885ACVR1 2458/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 QDPR 2121/4885TGFBR1 1301/4885ACVR1 1488/4885
US-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER FLT3, EGFR, ERBB2 QDPR 207/4885TGFBR1 1590/4885ACVR1 1777/4885
US-20220242882-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS PTK2, CTTN, TNK2 QDPR 3595/4885TGFBR1 3270/4885ACVR1 3800/4885
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF MITF, PRKDC, PRKACA QDPR 3788/4885TGFBR1 1139/4885ACVR1 1693/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 QDPR 807/4885TGFBR1 878/4885ACVR1 49/4885
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 QDPR 385/4885TGFBR1 2712/4885ACVR1 3078/4885
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer FLT3, EGFR, ERBB2 QDPR 207/4885TGFBR1 1590/4885ACVR1 1777/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.