SCHEMBL985803

SCHEMBL985803

COc1ccc(CNc2ncc(Br)cc2-c2nc(C)oc2-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
TSHR P16473 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C19 P33261 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 5/20 0.36
HTT P42858 2/20 0.36
EGFR P00533 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1A Q13627 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 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) P2RX7TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL986281 0.86 TSHR (0.39) TSHRCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL985975 0.81 P2RX7 (0.41) P2RX7TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL984329 0.80 P2RX7 (0.41) P2RX7TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL986393 0.77 RXRA (0.35) CYP2D6MAPTTP53MAPK1
SCHEMBL985823 0.76 TDP1 (0.40) P2RX7TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL982497 0.75 P2RX7 (0.49) P2RX7TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL985464 0.73 P2RX7 (0.41) P2RX7TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL12950438 0.72 P2RX7 (0.48) P2RX7TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL31728627 0.71 PDE5A (0.55) P2RX7MAPTHTTEGFRMAPK1

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 17 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-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-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
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-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
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
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 3624/4885TSHR 2018/4885CYP1A2 4605/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 P2RX7 3624/4885TSHR 2018/4885CYP1A2 4605/4885

“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.