SCHEMBL62595

SCHEMBL62595

[c]1cccc(CN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
NCF1 P14598 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CXCR4 P61073 1/20 0.46
TSHR P16473 2/20 0.46
CYP2A13 Q16696 5/20 0.45
NOS1 P29475 1/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL27729376 0.98 HRH3 (0.51) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL27780446 0.94 NCF1 (0.48) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL27829415 0.89 HRH3 (0.54) HRH3NCF1ALDH1A1HTTKDM4E
SCHEMBL27809061 0.87 NCF1 (0.58) HRH3NCF1ALDH1A1HTTKDM4E
SCHEMBL23113743 0.84 HRH3 (0.47) HRH3NCF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL845155 0.84 HRH3 (0.52) HRH3NCF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3149449 0.84 NCF1 (0.55) HRH3NCF1ALDH1A1HTTKDM4E
SCHEMBL5395459 0.83 SIGMAR1 (0.53) ALDH1A1MEN1KMT2APOLBSIGMAR1
SCHEMBL3145370 0.83 HRH3 (0.68) HRH3NCF1ALDH1A1MEN1KMT2A
SCHEMBL161004 0.82 HRH3 (0.55) HRH3NCF1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US claimed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 US claimed
CN-114787160-A Imidazopyridazines and imidazopyridines as activin receptor-like kinase-2 inhibitors 因赛特公司 2022-07-22 CN claimed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN claimed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
CN-113149885-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-07-23 CN claimed
WO-2021067569-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2021-04-08 WO claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10335415-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2019-07-02 US claimed
US-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 US claimed
CN-1556807-A Chemical compounds �㶫��������ҽҩ�ɷ����޹�˾ 2004-12-22 CN claimed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP claimed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-5733867-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST GLAXO WELLCOME SPA (IT) 1998-03-31 US claimed

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-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors SRC, LCK, FYN HRH3 495/4885NCF1 787/4885ALDH1A1 4583/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 HRH3 1686/4885NCF1 2240/4885ALDH1A1 208/4885
US-10335415-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 HRH3 1686/4885NCF1 2240/4885ALDH1A1 208/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 HRH3 4071/4885NCF1 214/4885ALDH1A1 2375/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP HRH3 3252/4885NCF1 1958/4885ALDH1A1 708/4885

“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.