SCHEMBL729159

SCHEMBL729159

COc1cccc(I)c1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
DRD2 P14416 5/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TACR1 P25103 1/20 0.39
LCK P06239 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
IDO1 P14902 1/20 0.37
MAPT P10636 1/20 0.37
PDK1 Q15118 1/20 0.37

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
SCHEMBL29991677 0.89 ATR (0.47) ATRALDH1A1GAADRD2KDM4E
SCHEMBL19701769 0.84 NLRP3 (0.46) ATRALDH1A1GAADRD2KDM4E
SCHEMBL27484947 0.84 ALDH1A1 (0.44) ATRALDH1A1GAADRD2KDM4E
SCHEMBL12730437 0.82 ALDH1A1 (0.44) ATRALDH1A1GAADRD2KDM4E
SCHEMBL14908404 0.82 KMT2A (0.49) ATRALDH1A1GAADRD2KDM4E
SCHEMBL14042913 0.82 KDM4E (0.50) GAAKDM4ECA12CA1CA2
SCHEMBL2352982 0.82 LCK (0.51) ATRALDH1A1LCKCA12CA1
SCHEMBL1677060 0.81 ENPP2 (0.45) ATRALDH1A1GAADRD2KDM4E
SCHEMBL28829529 0.81 CYP3A4 (0.41) ATRALDH1A1GAADRD2MTNR1A
SCHEMBL660566 0.81 NLRP3 (0.43) ATRALDH1A1GAALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214482-B Imidazo [1,2-a] pyridine compounds as receptor tyrosine kinase inhibitors 阵列生物制药公司 2016-06-29 CN disclosed
EP-2137184-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-05-08 EP disclosed
US-8138181-B2 Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-03-20 US disclosed
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
US-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-04 US disclosed
EP-2139888-A2 IMIDAZOÝ1,2-A¨PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-01-06 EP disclosed
EP-2137184-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-12-30 EP disclosed
WO-2008124323-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-16 WO disclosed
WO-2008121687-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-09 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 (2 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-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 ATR 1175/4885ALDH1A1 717/4885GAA 2981/4885
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 ATR 2540/4885ALDH1A1 405/4885GAA 1259/4885

“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.