SCHEMBL522026

SCHEMBL522026

Nc1ccn(CCN2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.45
KDM1A O60341 3/20 0.41
SIGMAR1 Q99720 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KEAP1 Q14145 1/20 0.40
POLB P06746 1/20 0.40
MAPK10 P53779 1/20 0.40
ATM Q13315 1/20 0.40
CXCR4 P61073 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ILK Q13418 1/20 0.38
FLT3 P36888 1/20 0.37

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
SCHEMBL6302848 0.92 KDM1A (0.44) NR5A2KDM1ASIGMAR1SMN1; SMN2KEAP1
SCHEMBL6304851 0.86 ALDH1A1 (0.40) NR5A2SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL6302885 0.86 ALDH1A1 (0.40) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL6533138 0.84 ALOX15 (0.41) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL18235472 0.83 LMNA (0.42) KDM1ASIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL18235388 0.81 KDM1A (0.42) KDM1ASIGMAR1SMN1; SMN2POLBMEN1
SCHEMBL15553829 0.81 KDM1A (0.42) KDM1ASIGMAR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL18235299 0.81 ALDH1A1 (0.39) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL10247439 0.79 HTR2A (0.51) NR5A2KDM1ASIGMAR1POLBMAPK10
SCHEMBL28811813 0.79 NR5A2 (0.45) NR5A2KDM1ASIGMAR1POLBMAPK10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332905-A (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives 上海翊石医药科技有限公司 2023-06-27 CN disclosed
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 US disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
US-10414769-B2 5,8-dimethyl-9-phenyl-5,8-dihydro-6H-pyrazolo[3,4-h]quinazolin-2-yl)-(1H-pyrazol-3-yl)-amines as IGF-1R/IR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-17 US disclosed
US-20180141948-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2-YL)-(1H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1R/IR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-24 US disclosed
US-20180141948-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2-YL)-(1H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1R/IR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-24 US disclosed
WO-2016180843-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2- YL)-(1 H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1 R/IR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-17 WO disclosed
WO-2014112799-A1 PHENOXYBENZAMIDE GLUCOKINASE ACTIVATOR CONTAINING NOVEL HETEROARYL AND METHOD FOR PREPARING SAME 주식회사유한양행 (KR) 2014-07-24 WO disclosed
WO-2014003483-A1 FUSED PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON FMS KINASES HANMI PHARM. CO., LTD. (KR) 2014-01-03 WO disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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 (4 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-10414769-B2 5,8-dimethyl-9-phenyl-5,8-dihydro-6H-pyrazolo[3,4-h]quinazolin-2-yl)-(1H-pyrazol-3-yl)-amines as IGF-1R/IR inhibitors IGF1R, IGFBP1, INSR NR5A2 87/4885KDM1A 887/4885SIGMAR1 929/4885
US-20180141948-A1 NEW 5,8-DIMETHYL-9-PHENYL-5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLIN-2-YL)-(1H-PYRAZOL-3-YL)-AMINES AND DERIVATIVES AS IGF-1R/IR INHIBITORS IGF1R, IGFBP1, IRS1 NR5A2 77/4885KDM1A 877/4885SIGMAR1 568/4885
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 NR5A2 1871/4885KDM1A 1786/4885SIGMAR1 1700/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 NR5A2 2791/4885KDM1A 307/4885SIGMAR1 4165/4885

“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.