SCHEMBL6544829

SCHEMBL6544829

Cc1ccn2cc(C(C)(C)C)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 10/20 0.50
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
ALDH1A1 P00352 5/20 0.49
POLB P06746 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 3/20 0.48
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 5/20 0.45
HSD17B10 Q99714 1/20 0.45
SUV39H2 Q9H5I1 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
Hydrochloric Acid SCHEMBL6545285 0.98 SMN1; SMN2 (0.57) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL19167337 0.82 TP53 (0.39) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL13050330 0.81 PDE10A (0.39) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL13050352 0.81 TP53 (0.38) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL13050338 0.81 TP53 (0.38) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL19497542 0.78 MCHR1 (0.44) SMN1; SMN2TP53KDM4E
SCHEMBL13050350 0.78 TLR9 (0.46) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL21100921 0.78 TP53 (0.36) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL13050260 0.77 NPC1 (0.53) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL434154 0.77 SMN1; SMN2 (0.61) SMN1; SMN2TP53KDM4ENPC1RAB9A

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
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations GRUENENTHAL GMBH (DE) 2004-07-22 US claimed
EP-1372647-A2 USE OF SUBSTITUTED IMIDAZO 1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-01-02 EP claimed
WO-2002080914-A2 USE OF SUBSTITUTED IMIDAZO[1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-10-17 WO claimed
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
CN-103012400-A Novel synthesis method of pyridino-imidazole compound UNIV SOOCHOW 2013-04-03 CN disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations GRUENENTHAL GMBH (DE) 2004-07-22 US disclosed
EP-1372647-A2 USE OF SUBSTITUTED IMIDAZO 1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-01-02 EP disclosed
WO-2002080914-A2 USE OF SUBSTITUTED IMIDAZO[1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-10-17 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 (7 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A SMN1; SMN2 331/4885TP53 4831/4885KDM4E 559/4885
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations QDPR, PTGIS, DPYD SMN1; SMN2 1400/4885TP53 2791/4885KDM4E 2101/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A SMN1; SMN2 331/4885TP53 4831/4885KDM4E 559/4885
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES GIPR, GLP1R, GHSR SMN1; SMN2 1617/4885TP53 3323/4885KDM4E 2805/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A SMN1; SMN2 331/4885TP53 4831/4885KDM4E 559/4885
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 SMN1; SMN2 4735/4885TP53 4689/4885KDM4E 3921/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR SMN1; SMN2 1839/4885TP53 3083/4885KDM4E 2837/4885

“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.