SCHEMBL357918

SCHEMBL357918

CC(C)(C#N)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
HSP90AA1 P07900 1/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
CCR6 P51684 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 6/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
CHRNA7 P36544 1/20 0.44
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
AGTR1 P30556 1/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 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
SCHEMBL12213081 0.80 CYP2C19 (0.63) CYP2C19RAB9AKMT2AHSP90AA1CXCR5
SCHEMBL1505948 0.76 AGTR1 (0.49) CYP2C19RAB9AKMT2AHSP90AA1CXCR5
SCHEMBL395484 0.75 HSD17B10 (0.47) KMT2AMAPTNPSR1LMNAALDH1A1
SCHEMBL20098922 0.75 CYP2C19 (0.56) CYP2C19RAB9AKMT2AHSP90AA1CXCR5
SCHEMBL11807485 0.74 CYP2C19 (0.56) CYP2C19RAB9AKMT2AHSP90AA1CXCR5
SCHEMBL28973291 0.74 CYP2C19 (0.56) CYP2C19RAB9AKMT2AHSP90AA1CXCR5
SCHEMBL16054165 0.73 CYP2C19 (0.59) CYP2C19RAB9AKMT2AHSP90AA1CXCR5
SCHEMBL26640567 0.73 CYP2C19 (0.55) CYP2C19RAB9AKMT2AHSP90AA1CXCR5
SCHEMBL31718069 0.73 CHRNA7 (0.46) RAB9AKMT2AMAPTCHRNA7GAA
SCHEMBL28220582 0.73 CYP2C19 (0.54) CYP2C19RAB9AKMT2AHSP90AA1CXCR5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
WO-2015145369-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, INTERMEDIATES AND POLYMORPHS THEREOF Piramal Enterprises Limited (IN) 2015-10-01 WO disclosed
WO-2015145369-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, INTERMEDIATES AND POLYMORPHS THEREOF Piramal Enterprises Limited (IN) 2015-10-01 WO disclosed
US-9062046-B2 Substituted imidazoquinoline derivatives as kinase inhibitors Piramal Enterprises Limited (IN) 2015-06-23 US disclosed
US-20130310374-A1 Substituted Imidazoquinoline Derivatives PIRAMAL ENTERPRISES LIMITED` (IN) 2013-11-21 US disclosed
CN-103402520-A Substituted imidazoquinoline derivatives PIRAMAL LIFE SCIENCES LTD 2013-11-20 CN disclosed
EP-2648733-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES Piramal Enterprises Limited (IN) 2013-10-16 EP disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
CN-103124731-A Fused heteroaryl compounds and uses thereof HUTCHISON MEDIPHARMA LTD 2013-05-29 CN disclosed
EP-2593450-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-22 EP disclosed
CN-103108873-A Substituted imidazoquinoline derivatives as kinase inhibitors PIRAMAL LIFE SCIENCES LTD 2013-05-15 CN disclosed
US-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-09 US disclosed
WO-2012077031-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-06-14 WO disclosed
CN-102399218-A Triheterocyclic compounds and their use as PI3K inhibitors HUTCHISON MEDIPHARMA LTD 2012-04-04 CN disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed
WO-2012007926-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-01-19 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 (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-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS CDK2, CDK4, MAP3K1 CYP2C19 1469/4885RAB9A 1389/4885KMT2A 787/4885
US-20130310374-A1 Substituted Imidazoquinoline Derivatives FLT4, CDK4, CDK2 CYP2C19 1166/4885RAB9A 2007/4885KMT2A 1159/4885
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR CYP2C19 2006/4885RAB9A 2036/4885KMT2A 4123/4885

“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.