SCHEMBL517468

SCHEMBL517468

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.50
INSR P06213 12/20 0.50
IGF1R P08069 12/20 0.50
PTK2B Q14289 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
EGFR P00533 4/20 0.46
PTK2 Q05397 3/20 0.46
EML4 Q9HC35 3/20 0.46
STK10 O94804 2/20 0.46
ABL1 P00519 2/20 0.46
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
FES P07332 2/20 0.46
YES1 P07947 2/20 0.46
HCK P08631 2/20 0.46

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
SCHEMBL520521 0.95 ALK (0.48) ALKINSRIGF1RPTK2BKDM4E
SCHEMBL519761 0.95 ALDH1A1 (0.50) ALKINSRIGF1RPTK2BKDM4E
SCHEMBL29517345 0.95 ALDH1A1 (0.50) ALKINSRIGF1RPTK2BKDM4E
SCHEMBL10205071 0.93 L3MBTL3 (0.46) ALKINSRIGF1RKDM4EMAPT
SCHEMBL13177796 0.92 ALK (0.44) ALKINSRIGF1RPTK2BKDM4E
SCHEMBL23533701 0.91 ALK (0.43) ALKINSRIGF1RPTK2BEGFR
SCHEMBL520789 0.90 ALDH1A1 (0.46) ALKINSRIGF1RPTK2BKDM4E
SCHEMBL24073828 0.90 ALK (0.48) ALKINSRIGF1RPTK2BKDM4E
SCHEMBL520836 0.89 L3MBTL1 (0.57) ALKINSRIGF1RGAAMAPT
SCHEMBL10206202 0.89 L3MBTL3 (0.53) ALKINSRIGF1REGFRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024454-B Synthesis method of brigatinib intermediate 浙江工业大学 2022-09-09 CN claimed
EP-4725487-A1 NOVEL COMPOUND AND PREPARATION METHOD THEREFOR Astrion Inc. (KR) 2026-04-15 EP disclosed
EP-4725488-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BRAIN TUMOR Astrion Inc. (KR) 2026-04-15 EP disclosed
CN-120774958-A Preparation method of Bragg nylon 江苏工程职业技术学院 2025-10-14 CN disclosed
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
CN-119735613-A Crystalline forms of 5-chloro-N4- [2- (dimethylphosphoryl) phenyl ] -N2- { 2-methoxy-4- [4- (4-methylpiperazin-1-yl) piperidin-1-yl ] phenyl } pyrimidine-2, 4-diamine 武田药品工业株式会社 2025-04-01 CN disclosed
WO-2024253476-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BRAIN TUMOR 주식회사 에스트리온 2024-12-12 WO disclosed
WO-2024253475-A1 NOVEL COMPOUND AND PREPARATION METHOD THEREFOR 주식회사 에스트리온 2024-12-12 WO disclosed
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2024-12-12 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 WO disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US 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 (5 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 ALK 1473/4885INSR 4003/4885IGF1R 1563/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ALK 1/4885INSR 241/4885IGF1R 66/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALK 3/4885INSR 607/4885IGF1R 47/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885IGF1R 4633/4885
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF EGFR, ERBB2, ERBB3 ALK 174/4885INSR 2993/4885IGF1R 652/4885

“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.