SCHEMBL188978

SCHEMBL188978

CN(C)C1CCN(c2cc[c]cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.46
RORC P51449 2/20 0.42
KCNH2 Q12809 2/20 0.41
MAP4K4 O95819 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL5545660 0.89 L3MBTL3 (0.43) MCHR1RORCKCNH2
SCHEMBL189270 0.87 HRH3 (0.37) MCHR1RORCKCNH2MAP4K4HRH3
SCHEMBL16719407 0.84 MCHR1 (0.56) MCHR1RORCKCNH2PIM1PIM3
SCHEMBL27752850 0.84 MCHR1 (0.56) MCHR1RORCKCNH2PIM1PIM3
SCHEMBL13174962 0.84 MCHR1 (0.56) MCHR1RORCKCNH2PIM1PIM3
SCHEMBL14924424 0.82 MCHR1 (0.49) MCHR1RORCKCNH2MAP4K4
SCHEMBL27389111 0.82 MCHR1 (0.49) MCHR1RORCKCNH2MAP4K4
SCHEMBL14450799 0.82 MCHR1 (0.49) MCHR1RORCKCNH2MAP4K4
SCHEMBL34469712 0.82 MCHR1 (0.49) MCHR1RORCKCNH2MAP4K4HRH3
SCHEMBL24681150 0.81 MCHR1 (0.59) MCHR1RORCKCNH2HRH4

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
CN-101312977-B Fused heterocyclic compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO 2012-06-13 CN claimed
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP disclosed
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2006-04-13 US 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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 MCHR1 1599/4885RORC 2350/4885KCNH2 447/4885
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof GSK3B, GSK3A, GYS2 MCHR1 4752/4885RORC 1299/4885KCNH2 3969/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MCHR1 3039/4885RORC 2907/4885KCNH2 2636/4885

“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.