SCHEMBL985132

SCHEMBL985132

Nc1ncc(-c2cccc(NC(=O)N3CCCC3)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
CYP3A4 P08684 1/20 0.41
GAK O14976 1/20 0.41
FYN P06241 2/20 0.41
USP7 Q93009 1/20 0.41
CHEK2 O96017 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL984820 0.93 KDM4E (0.47) LIMK1LIMK2GAKFYNUSP7
SCHEMBL987272 0.93 CYP3A4 (0.42) LIMK1LIMK2CYP3A4POLBHDAC3
SCHEMBL986949 0.88 MAP4K4 (0.48) FYNUSP7POLBALDH1A1RAB9A
SCHEMBL986668 0.88 FYN (0.55) FYNUSP7CHEK2MEN1KMT2A
SCHEMBL985934 0.87 ALDH1A1 (0.43) FYNUSP7CHEK2POLBALDH1A1
SCHEMBL27900673 0.86 FYN (0.44) FYNUSP7CHEK2
SCHEMBL986437 0.85 FYN (0.44) GAKFYNUSP7CHEK2ALDH1A1
SCHEMBL986702 0.85 MAP4K4 (0.47) FYNUSP7CHEK2RAB9AMEN1
SCHEMBL986141 0.84 BRAF (0.44) LIMK1FYNUSP7CHEK2ALDH1A1
SCHEMBL984853 0.84 BRAF (0.47) CYP3A4FYNUSP7CHEK2MEN1

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
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
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 LIMK1 468/4885LIMK2 464/4885CYP3A4 4358/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 LIMK1 468/4885LIMK2 464/4885CYP3A4 4358/4885

“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.