SCHEMBL166982

SCHEMBL166982

COc1ccc(Cn2cnc3cc(N)ccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.65
QPCTL Q9NXS2 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CSF1R P07333 1/20 0.53
BRD4 O60885 1/20 0.53
FGFR1 P11362 1/20 0.51
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3102063 0.89 QPCT (0.65) QPCTQPCTLSMN1; SMN2MAPTALDH1A1
SCHEMBL7035206 0.86 QPCT (0.67) QPCTQPCTLSMN1; SMN2MAPTALDH1A1
SCHEMBL23123295 0.84 QPCT (0.58) QPCTQPCTLSMN1; SMN2MAPTALDH1A1
SCHEMBL13508672 0.82 KCNH2 (0.62) QPCTQPCTLSMN1; SMN2MAPTALDH1A1
SCHEMBL3761479 0.81 CYP11B1 (0.66) SMN1; SMN2MAPTALDH1A1HSD17B10FGFR1
SCHEMBL13508796 0.81 QPCT (0.56) QPCTQPCTLSMN1; SMN2MAPTALDH1A1
SCHEMBL15579167 0.81 KCNH2 (0.72) QPCTQPCTLSMN1; SMN2MAPTALDH1A1
SCHEMBL6047768 0.81 CYP11B1 (0.60) QPCTQPCTLSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12771538 0.80 HTT (0.72) QPCTQPCTLSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30138392 0.80 HTT (0.72) QPCTQPCTLSMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 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 (6 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD QPCT 3189/4885QPCTL 4534/4885SMN1; SMN2 1834/4885
US-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 QPCT 2760/4885QPCTL 3955/4885SMN1; SMN2 2203/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 QPCT 2599/4885QPCTL 3846/4885SMN1; SMN2 2392/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 QPCT 2997/4885QPCTL 4015/4885SMN1; SMN2 2343/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 QPCT 2760/4885QPCTL 3955/4885SMN1; SMN2 2203/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD QPCT 3189/4885QPCTL 4534/4885SMN1; SMN2 1834/4885

“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.