SCHEMBL522135

SCHEMBL522135

COc1cc(C2=CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.62
TGFBR1 P36897 1/20 0.49
ACVR1 Q04771 1/20 0.49
KCNH2 Q12809 1/20 0.49
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
HTR6 P50406 2/20 0.46
CHEK1 O14757 3/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KHK P50053 1/20 0.44
HTR2C P28335 4/20 0.43
SIGMAR1 Q99720 2/20 0.43
SIRT6 Q8N6T7 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
HTR2A P28223 1/20 0.42

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
Hydrochloric Acid SCHEMBL521660 0.99 QDPR (0.61) QDPRTGFBR1ACVR1KCNH2TLR9
Trifluoroacetic Acid SCHEMBL28431227 0.90 QDPR (0.55) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL5064343 0.83 QDPR (0.49) QDPRHTR6KHKHTR2CSIGMAR1
SCHEMBL30868397 0.81 ALDH1A1 (0.51) CHEK1ALDH1A1LMNASIRT6
SCHEMBL7305529 0.81 QDPR (0.76) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL6181269 0.80 ALDH1A1 (0.50) CHEK1ALDH1A1LMNASIRT6
SCHEMBL2208088 0.80 ADRA2A (0.46) QDPRCHEK1ALDH1A1LMNASIRT6
Hydrochloric Acid SCHEMBL31091839 0.79 QDPR (0.48) QDPRHTR6KHKHTR2CSIGMAR1
SCHEMBL19174976 0.79 HTR6 (0.43) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL15994858 0.79 CHEK1 (0.45) QDPRCHEK1ALDH1A1LMNASIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 CN disclosed
WO-2024059525-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANAPLASTIC LYMPHOMA KINASE AND ROS1 KINASE ENDOTARGET, INC. (US) 2024-03-21 WO 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-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-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
CN-108137544-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-01-04 CN disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 US disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES CARDURION PHARMACEUTICALS, LLC (US) 2020-07-23 US disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 US disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 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 (6 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-10695347-B2 Pyrimidine derivative and use thereof ALK, DPYD, TYMP QDPR 305/4885TGFBR1 1347/4885ACVR1 299/4885
US-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G QDPR 242/4885TGFBR1 857/4885ACVR1 320/4885
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-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 QDPR 801/4885TGFBR1 325/4885ACVR1 255/4885
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES TNNI3, CALM1, CAMK2G QDPR 242/4885TGFBR1 857/4885ACVR1 320/4885
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.