SCHEMBL985094

SCHEMBL985094

Nc1ncc(-c2cccc(NC(=O)NC3CCCCO3)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.37
BRAF P15056 3/20 0.37
FGFR3 P22607 2/20 0.36
KDR P35968 2/20 0.36
FYN P06241 2/20 0.36
USP7 Q93009 1/20 0.36
CCR3 P51677 6/20 0.36
RIPK1 Q13546 1/20 0.36
CHEK2 O96017 1/20 0.35
CYP2D6 P10635 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
CCR5 P51681 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL986702 0.90 MAP4K4 (0.47) MAP4K4BRAFFGFR3KDRFYN
SCHEMBL985934 0.84 ALDH1A1 (0.43) MAP4K4BRAFKDRFYNUSP7
SCHEMBL986764 0.83 KDR (0.44) MAP4K4BRAFFGFR3KDRRIPK1
SCHEMBL986668 0.82 FYN (0.55) MAP4K4FYNUSP7CHEK2KCNN4
SCHEMBL985132 0.81 LIMK1 (0.42) FYNUSP7CHEK2
SCHEMBL984853 0.81 BRAF (0.47) BRAFKDRFYNUSP7RIPK1
SCHEMBL986141 0.81 BRAF (0.44) MAP4K4BRAFKDRFYNUSP7
SCHEMBL27918471 0.81 SCN9A (0.42) MAP4K4BRAFFYNUSP7CHEK2
SCHEMBL13593408 0.80 RIPK1 (0.44) MAP4K4BRAFFGFR3KDRCCR3
SCHEMBL27900673 0.80 FYN (0.44) MAP4K4BRAFFYNUSP7CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MAP4K4 150/4885BRAF 10/4885FGFR3 249/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MAP4K4 150/4885BRAF 10/4885FGFR3 249/4885

“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.