SCHEMBL986863

SCHEMBL986863

Nc1ncc(Br)cc1-n1nnnc1-c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.43
KCNN4 O15554 5/20 0.42
TRPA1 O75762 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.36
MAOA P21397 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SCN4A P35499 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
PDE3A Q14432 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL982171 0.89 KCNN4 (0.46) KCNN4ALDH1A1TSHR
SCHEMBL985302 0.86 KCNN4 (0.42) P2RX7KCNN4ALDH1A1TSHR
SCHEMBL984681 0.81 KCNN4 (0.48) KCNN4ALDH1A1KMT2A
SCHEMBL986016 0.80 KCNN4 (0.46) KCNN4ALDH1A1TSHR
SCHEMBL986679 0.73 KCNN4 (0.48) P2RX7KCNN4TRPA1SIGMAR1ALDH1A1
SCHEMBL982407 0.73 ALDH1A1 (0.43) ALDH1A1CYP2D6TSHRHTTKMT2A
SCHEMBL984885 0.72 KCNN4 (0.48) KCNN4
SCHEMBL985978 0.72 MAP4K4 (0.41) P2RX7KCNN4
SCHEMBL987933 0.72 MAP4K4 (0.49) P2RX7KCNN4HTT
SCHEMBL985797 0.71 P2RX7 (0.43) P2RX7KCNN4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN 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-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
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP 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 P2RX7 3624/4885KCNN4 4013/4885TRPA1 4409/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 P2RX7 3624/4885KCNN4 4013/4885TRPA1 4409/4885

“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.