SCHEMBL1873933

SCHEMBL1873933

COC(=O)c1nn(CCc2ccccc2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.52
ADORA1 P30542 10/20 0.52
ADORA3 P0DMS8 10/20 0.52
ADORA2B P29275 1/20 0.52
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
HDAC2 Q92769 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
SCHEMBL4935854 0.92 SMN1; SMN2 (0.46) ADORA2AADORA1ADORA3ADORA2BCYP1A2
SCHEMBL1881207 0.86 SMN1; SMN2 (0.56) CYP1A2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL1879617 0.81 ADORA3 (0.47) ADORA2AADORA1ADORA3ADORA2BSMN1; SMN2
SCHEMBL21236762 0.80 ADORA3 (0.43) ADORA2AADORA1ADORA3ADORA2BCYP1A2
SCHEMBL3466836 0.80 GAA (0.47) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1878308 0.79 KDM4E (0.57) ADORA2AADORA1ADORA3SMN1; SMN2KDM4E
SCHEMBL1875365 0.79 LMNA (0.52) ADORA2AADORA1ADORA3ADORA2BCYP1A2
SCHEMBL1878740 0.78 ADORA3 (0.45) ADORA2AADORA1ADORA3ADORA2BSMN1; SMN2
SCHEMBL17267082 0.78 ADORA3 (0.43) ADORA2AADORA1ADORA3ADORA2BCYP1A2
SCHEMBL1872946 0.77 ADORA3 (0.42) ADORA2AADORA1ADORA3ADORA2BSMN1; 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 5 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 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
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 ADORA2A 405/4885ADORA1 252/4885ADORA3 78/4885

“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.