SCHEMBL1880001

SCHEMBL1880001

COCc1nn(CCc2ccccc2)cc1NC(=O)CBr

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ADORA3 P0DMS8 10/20 0.40
ADORA2A P29274 10/20 0.40
ADORA1 P30542 10/20 0.40
LMNA P02545 1/20 0.38
HDAC2 Q92769 1/20 0.37
ADORA2B P29275 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
SCHEMBL1878392 0.83 LMNA (0.47) TSHRL3MBTL1ADORA3ADORA2AADORA1
SCHEMBL1878740 0.83 ADORA3 (0.45) KDM4EADORA3ADORA2AADORA1ADORA2B
SCHEMBL1881487 0.75 KDM4E (0.48) KDM4EADORA3ADORA2AADORA1ADORA2B
SCHEMBL1878308 0.73 KDM4E (0.57) POLBKDM4EADORA3ADORA2AADORA1
SCHEMBL1871855 0.72 KMT2A (0.48) POLBL3MBTL1LMNA
SCHEMBL1877492 0.71 SMN1; SMN2 (0.44) KDM4ELMNA
SCHEMBL17023215 0.71 KDM4E (0.49) POLBKDM4E
SCHEMBL12671226 0.71 MEN1 (0.50) POLBTSHRKDM4EADORA3ADORA2A
SCHEMBL1878399 0.70 KDM4E (0.44) KDM4ELMNA
SCHEMBL21236762 0.69 ADORA3 (0.43) KDM4EADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TP53 1375/4885POLB 3990/4885TSHR 4708/4885

“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.