SCHEMBL985567

SCHEMBL985567

COc1ccc(CNc2ncc(-c3cccnc3)cc2-c2ncsc2-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 5/20 0.43
CYP2C19 P33261 5/20 0.43
CLK4 Q9HAZ1 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 1/20 0.43
DYRK1A Q13627 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2C9 P11712 3/20 0.40
USP1 O94782 3/20 0.39
WDR48 Q8TAF3 3/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
F2 P00734 1/20 0.39
HTT P42858 1/20 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
SCHEMBL985975 0.85 P2RX7 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL984911 0.76 FYN (0.47) CYP1A2DYRK1A
SCHEMBL7636502 0.75 NPC1 (0.47) CLK4DYRK1AMAPTHTTP2RX7
SCHEMBL984329 0.72 P2RX7 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL5567001 0.70 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1LMNAF2
SCHEMBL985803 0.67 P2RX7 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL30835278 0.65 NPC1 (0.62) CLK4DYRK1ALMNAHTTP2RX7
SCHEMBL985823 0.64 TDP1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL14927152 0.63 DYRK1A (0.56) CYP3A4CYP2C19CLK4DYRK1AHCRTR1
SCHEMBL11946789 0.62 FYN (0.46) CYP1A2CYP2D6DYRK1AMAPK1P2RX7

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 CYP1A2 4605/4885CYP3A4 4358/4885CYP2D6 4248/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CYP1A2 4605/4885CYP3A4 4358/4885CYP2D6 4248/4885

“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.