SCHEMBL1879012

SCHEMBL1879012

COC(=O)c1nn(CCc2ccccc2)cc1NC(=O)CSc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 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
SCHEMBL1882748 0.93 L3MBTL1 (0.54) L3MBTL1ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL1881233 0.91 L3MBTL1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL1876938 0.91 KMT2A (0.48) L3MBTL1ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL1875489 0.88 ALDH1A1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL1875036 0.87 ALDH1A1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL17023227 0.85 L3MBTL1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2ALOX15MAPK1
SCHEMBL1877072 0.84 NPC1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL1874546 0.84 LMNA (0.59) ALDH1A1SMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL1875365 0.84 LMNA (0.52) ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL1870272 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059503-B1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2015-08-26 EP claimed
US-7939550-B2 Aminopyrazole derivatives, process for the preparation thereof, and composition for preventing or treating ischemic diseases containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-05-10 US claimed
US-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US claimed
EP-2059503-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-05-20 EP claimed
WO-2008051047-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-02 WO claimed
EP-2059503-B1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2015-08-26 EP disclosed
US-7939550-B2 Aminopyrazole derivatives, process for the preparation thereof, and composition for preventing or treating ischemic diseases containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-05-10 US disclosed
US-7939550-B2 Aminopyrazole derivatives, process for the preparation thereof, and composition for preventing or treating ischemic diseases containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-05-10 US disclosed
US-7939550-B2 Aminopyrazole derivatives, process for the preparation thereof, and composition for preventing or treating ischemic diseases containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-05-10 US disclosed
US-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed
US-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed
US-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed
EP-2059503-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-05-20 EP disclosed
WO-2008051047-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-02 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 (1 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-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME CASP3, ABAT, AIFM1 L3MBTL1 3692/4885ALDH1A1 696/4885SMN1; SMN2 2483/4885

“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.