SCHEMBL2010960

SCHEMBL2010960

[NH]c1ccc2ncccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
POLB P06746 2/20 0.63
RAB9A P51151 2/20 0.63
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
HTT P42858 3/20 0.59
ATM Q13315 2/20 0.59
KDM4E B2RXH2 2/20 0.59
CASP1 P29466 2/20 0.59
TP53 P04637 1/20 0.59
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
DYRK1A Q13627 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL6514566 0.86 NPC1 (0.49) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL2006865 0.83 ALDH1A1 (0.59) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL359895 0.78 NPC1 (0.63) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL29757180 0.77 NPC1 (1.00) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL30743 0.77 NPC1 (1.00) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL17164822 0.77 NPC1 (0.61) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL150476 0.76 NPC1 (0.65) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL29350099 0.76 NPC1 (0.65) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL3694131 0.76 NPC1 (0.65) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL21507918 0.76 NPC1 (0.65) NPC1POLBRAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2009117985-A1 PIRINIXIC ACID DERIVATIVES AS PROSTGLANDIN E2 SYNTHESIS INHIBITORS FOR TREATING INFLAMMATORY DISEASES MEDEON PHARMACEUTICALS GMBH (DE) 2009-10-01 WO claimed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
EP-3037428-B1 MACROLIDE COMPOUND PULIKE BIOLOGICAL ENG INC (CN) 2020-09-23 EP disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-20190144383-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITION ASSOCIATED WITH UBIQUITINATION-PROTEASOME SYSTEM CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2019-05-16 US disclosed
US-9447100-B2 Substituted pyrazolo[1,5-A] pyrimidines as calcium receptor modulating agents TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2016-09-20 US disclosed
US-20140155416-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 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 (3 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-20190144383-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITION ASSOCIATED WITH UBIQUITINATION-PROTEASOME SYSTEM PSMC1, PSME3, PSMB1 NPC1 1030/4885POLB 639/4885RAB9A 1884/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 NPC1 2579/4885POLB 3675/4885RAB9A 1248/4885
US-20140155416-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS CASR, NR2C2, RYR1 NPC1 3161/4885POLB 4328/4885RAB9A 2248/4885

“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.