SCHEMBL2221640

SCHEMBL2221640

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
FGFR3 P22607 2/20 0.33
KDR P35968 1/20 0.33
GRIN2B Q13224 5/20 0.31
GRIN1 Q05586 2/20 0.31
HSD17B13 Q7Z5P4 1/20 0.31
FGFR2 P21802 1/20 0.31
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ELANE P08246 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL13449430 0.94 FGFR3 (0.33) METFGFR3KDRGRIN2BGRIN1
SCHEMBL2266777 0.90 MET (0.35) METBRD4CCL2FGFR3KDR
SCHEMBL2224149 0.90 BRD4 (0.35) METBRD4CCL2FGFR3KDR
SCHEMBL13449340 0.90 BRD4 (0.34) METBRD4CCL2FGFR3KDR
SCHEMBL2219713 0.89 BRD4 (0.34) METBRD4CCL2FGFR3KDR
SCHEMBL13449341 0.88 BRD4 (0.33) METBRD4CCL2FGFR3KDR
SCHEMBL13449437 0.86 MET (0.31) MET
SCHEMBL13449436 0.85 KDR (0.34) METBRD4CCL2FGFR3KDR
SCHEMBL13275687 0.83 MET (0.32) METBRD4CCL2FGFR3KDR
SCHEMBL2266377 0.83 MET (0.34) METBRD4CCL2FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MET 2/4885BRD4 880/4885CCL2 2542/4885

“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.