SCHEMBL985934

SCHEMBL985934

Nc1ncc(-c2cccc(NC(=O)C3CC3)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
FYN P06241 1/20 0.42
USP7 Q93009 1/20 0.42
MAPT P10636 1/20 0.41
GSK3B P49841 1/20 0.41
BRAF P15056 1/20 0.41
CHEK2 O96017 1/20 0.41
JAK2 O60674 1/20 0.40
MAP4K4 O95819 2/20 0.40
MAPK1 P28482 1/20 0.40
F10 P00742 1/20 0.40
KDR P35968 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL27918471 0.89 SCN9A (0.42) ALDH1A1LMNAFYNUSP7GSK3B
SCHEMBL986668 0.89 FYN (0.55) FYNUSP7CHEK2MAP4K4MEN1
SCHEMBL986702 0.88 MAP4K4 (0.47) LMNAFYNUSP7BRAFCHEK2
SCHEMBL27900673 0.87 FYN (0.44) FYNUSP7BRAFCHEK2MAP4K4
SCHEMBL985132 0.87 LIMK1 (0.42) ALDH1A1FYNUSP7MAPTCHEK2
SCHEMBL986437 0.87 FYN (0.44) ALDH1A1FYNUSP7CHEK2MAP4K4
SCHEMBL986141 0.85 BRAF (0.44) ALDH1A1FYNUSP7BRAFCHEK2
SCHEMBL984853 0.85 BRAF (0.47) LMNAFYNUSP7BRAFCHEK2
SCHEMBL986949 0.85 MAP4K4 (0.48) ALDH1A1LMNAFYNUSP7MAPT
SCHEMBL984820 0.85 KDM4E (0.47) ALDH1A1FYNUSP7MAPTCHEK2

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 ALDH1A1 3864/4885LMNA 3472/4885FYN 392/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALDH1A1 3864/4885LMNA 3472/4885FYN 392/4885

“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.