SCHEMBL2449039

SCHEMBL2449039

COc1ccc(CNc2ccc3ccc4ncc(-c5ccc(C)s5)cc4c(=O)c3c2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.49
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
CYP1A2 P05177 10/20 0.43
CYP3A4 P08684 10/20 0.43
CLK4 Q9HAZ1 10/20 0.43
CYP2C19 P33261 9/20 0.43
CYP2D6 P10635 8/20 0.43
HSD17B10 Q99714 8/20 0.43
ALDH1A1 P00352 8/20 0.43
CYP2C9 P11712 6/20 0.43
TSHR P16473 5/20 0.43
LMNA P02545 7/20 0.42
USP2 O75604 7/20 0.42
MAPK1 P28482 6/20 0.42
HIF1A Q16665 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL2327489 0.86 MET (0.57) DHFRFGFR3KDRCYP1A2CYP3A4
SCHEMBL2326620 0.85 MET (0.58) DHFRFGFR3KDRCYP1A2CYP3A4
SCHEMBL2326096 0.83 DHFR (0.49) DHFRFGFR3KDRCYP1A2CYP3A4
SCHEMBL2326254 0.83 DHFR (0.55) DHFRFGFR3KDRCYP1A2CYP3A4
SCHEMBL2446907 0.82 CYP1A2 (0.51) DHFRFGFR3KDRCYP1A2CYP3A4
SCHEMBL2449208 0.82 MAPK10 (0.50) DHFRFGFR3KDRCYP1A2CYP3A4
SCHEMBL2449851 0.82 FGFR3 (0.66) FGFR3KDRMETKCNH2
SCHEMBL2447288 0.82 DHFR (0.47) DHFRFGFR3KDRCYP1A2CYP3A4
SCHEMBL2449081 0.79 MET (0.59) DHFRCYP1A2CYP3A4CLK4CYP2C19
SCHEMBL4293510 0.77 DHFR (0.44) DHFRFGFR3KDRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP claimed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US claimed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 US claimed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
WO-2007002254-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 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 (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-20060293358-A1 Tyrosine kinase inhibitors ABL1, ERBB2, RET DHFR 116/4885FGFR3 56/4885KDR 111/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 DHFR 22/4885FGFR3 29/4885KDR 41/4885

“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.