SCHEMBL2820792

SCHEMBL2820792

CCOC(=O)c1ccc(N2CCCC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.64
HRH3 Q9Y5N1 1/20 0.58
OGA O60502 1/20 0.57
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
UBE2T Q9NPD8 1/20 0.52
KDM4E B2RXH2 3/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PIK3CA P42336 1/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL7469230 0.99 P2RY12 (0.63) P2RY12HRH3OGANPC1RAB9A
SCHEMBL9210857 0.89 P2RY12 (0.65) P2RY12HRH3OGANPC1RAB9A
SCHEMBL10194521 0.89 P2RY12 (0.56) P2RY12HRH3OGANPC1RAB9A
SCHEMBL386639 0.88 P2RY12 (0.60) P2RY12HRH3OGANPC1RAB9A
SCHEMBL7529775 0.88 P2RY12 (0.64) P2RY12HRH3OGANPC1RAB9A
SCHEMBL5089275 0.88 PIK3CA (0.67) P2RY12HRH3OGANPC1RAB9A
SCHEMBL10194526 0.88 HRH3 (0.58) P2RY12HRH3OGANPC1RAB9A
SCHEMBL10194528 0.87 HRH3 (0.57) P2RY12HRH3OGANPC1RAB9A
Hydrochloric Acid SCHEMBL25232851 0.87 P2RY12 (0.59) P2RY12HRH3OGANPC1RAB9A
SCHEMBL2428493 0.87 P2RY12 (0.72) P2RY12HRH3OGANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (2 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 P2RY12 3835/4885HRH3 4206/4885OGA 3088/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 P2RY12 1954/4885HRH3 2512/4885OGA 3841/4885

“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.