SCHEMBL986281

SCHEMBL986281

COc1ccc(CNc2ncc(Br)cc2-c2nc(C)oc2-c2cccc(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
EGFR P00533 3/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 2/20 0.36
BTK Q06187 1/20 0.36
DYRK1A Q13627 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 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
SCHEMBL986277 0.92 TSHR (0.38) TSHREGFRDYRK1ACLK4MAPT
SCHEMBL985803 0.86 P2RX7 (0.40) TSHREGFRDYRK1ACLK4MAPT
SCHEMBL982495 0.75 MAPK14 (0.39) TSHREGFRJAK2TYK2JAK3
SCHEMBL985975 0.68 P2RX7 (0.41) TSHREGFRMAPTALDH1A1CYP1A2
SCHEMBL987103 0.68 P2RX7 (0.42) TSHREGFRMAPTALDH1A1CYP1A2
SCHEMBL12675592 0.68 MEN1 (0.54) EGFRMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL984329 0.68 P2RX7 (0.41) TSHREGFRMAPTALDH1A1CYP1A2
SCHEMBL21467292 0.65 MEN1 (0.51) EGFRMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL982497 0.64 P2RX7 (0.49) TSHREGFRMAPTALDH1A1CYP1A2
SCHEMBL12965897 0.64 MAPT (0.47) EGFRMAPTALDH1A1CYP1A2CYP2D6

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 7 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 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 TSHR 2018/4885EGFR 28/4885JAK2 33/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TSHR 2018/4885EGFR 28/4885JAK2 33/4885

“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.