SCHEMBL91473

SCHEMBL91473

CCNc1nccc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
PKM P14618 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
FASN P49327 1/20 0.42
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
PDPK1 O15530 1/20 0.41
GRM5 P41594 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL22242925 0.84 PDPK1 (0.44) NPSR1MAPTCYP2C9MAPK1SMN1; SMN2
SCHEMBL91452 0.84 NPSR1 (0.46) NPSR1MAPTCYP2C9MAPK1SMN1; SMN2
SCHEMBL13403107 0.81 HRH4 (0.56) NPSR1MAPTCYP2C9MAPK1SMN1; SMN2
SCHEMBL28248600 0.80 DNM2 (0.57) NPSR1MAPT
SCHEMBL10225045 0.79 MAPK1 (0.59) NPSR1MAPTCYP2C9MAPK1SMN1; SMN2
SCHEMBL14029983 0.79 HRH4 (0.54) NPSR1MAPTCYP2C9MAPK1
SCHEMBL13034199 0.79 CXCR4 (0.54) NPSR1MAPTCYP2C9MAPK1SMN1; SMN2
SCHEMBL91405 0.79 HRH4 (0.55) NPSR1MAPTCYP2C9MAPK1SMN1; SMN2
SCHEMBL1519442 0.78 LMNA (0.47) ALDH1A1LMNAPDPK1
SCHEMBL28106506 0.78 PDPK1 (0.40) MAPTSMN1; SMN2NPC1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855488-B1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2016-04-13 EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 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 (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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NPSR1 1044/4885MAPT 2245/4885CYP2C9 185/4885
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 NPSR1 764/4885MAPT 2432/4885CYP2C9 3796/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPSR1 3426/4885MAPT 2406/4885CYP2C9 1458/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS NPSR1 4364/4885MAPT 3320/4885CYP2C9 4695/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS NPSR1 4625/4885MAPT 4170/4885CYP2C9 4424/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 NPSR1 764/4885MAPT 2432/4885CYP2C9 3796/4885

“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.