SCHEMBL2224149

SCHEMBL2224149

CCOc1cnc(-c2cccc(C(O)c3nn(-c4cnn(C)c4)ccc3=O)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
FGFR3 P22607 2/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
KDR P35968 2/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
MET P08581 1/20 0.33
IRAK1 P51617 6/20 0.33
IRAK4 Q9NWZ3 5/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALKBH1 Q13686 1/20 0.31
NOTUM Q6P988 1/20 0.31
DGAT1 O75907 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL13449436 0.94 KDR (0.34) BRD4CCL2FGFR3KDRHSD17B13
SCHEMBL2266377 0.92 MET (0.34) BRD4CCL2FGFR3FGFR2FGFR4
SCHEMBL2266777 0.91 MET (0.35) BRD4CCL2FGFR3FGFR2KDR
SCHEMBL2221640 0.90 MET (0.34) BRD4CCL2FGFR3FGFR2KDR
SCHEMBL13449340 0.90 BRD4 (0.34) BRD4CCL2FGFR3KDRHSD17B13
SCHEMBL2219713 0.90 BRD4 (0.34) BRD4CCL2FGFR3KDRHSD17B13
SCHEMBL13449341 0.89 BRD4 (0.33) BRD4CCL2FGFR3KDRHSD17B13
SCHEMBL13449440 0.86 MET (0.30) KDRMET
SCHEMBL2266323 0.85 IRAK1 (0.36) FGFR3FGFR2FGFR4KDRHSD17B13
SCHEMBL13275071 0.85 RXRA (0.34) FGFR3FGFR2FGFR4KDRMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (1 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 BRD4 880/4885CCL2 2542/4885FGFR3 124/4885

“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.