SCHEMBL10100565

SCHEMBL10100565

COc1ccccc1-c1cnc(N)c(-c2nnnn2-c2ccc(OCCN3CCOCC3)c(F)c2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KCNN4 O15554 4/20 0.40
KIT P10721 1/20 0.40
KDM4E B2RXH2 1/20 0.40
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
AXL P30530 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
PIK3CA P42336 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL10100755 0.95 HTR2C (0.40) HTR2CHTR2BKCNN4KITKDM4E
SCHEMBL10100411 0.92 KCNN4 (0.41) HTR2CHTR2BKCNN4KDM4EABCB1
SCHEMBL10100591 0.90 SMN1; SMN2 (0.40) HTR2CHTR2BKITOXTRAVPR1A
SCHEMBL10100596 0.89 MET (0.43) KITLRRK2AXLPIK3CAPRKAB2
SCHEMBL10100594 0.88 MET (0.42) KITOXTRAVPR1ALRRK2AXL
SCHEMBL10100568 0.88 ALK (0.40) KITLRRK2AXLPIK3CAPIK3R1
SCHEMBL10100708 0.87 KCNN4 (0.41) HTR2CHTR2BKCNN4KDM4EABCB1
SCHEMBL10100561 0.87 ABL1 (0.39) HTR2CHTR2BKITOXTRAVPR1A
SCHEMBL10100384 0.86 MET (0.41) KITLRRK2AXLPIK3CAPRKAB2
SCHEMBL10100592 0.86 NTRK1 (0.41) KITOXTRAVPR1ALRRK2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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 (1 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 HTR2C 2488/4885HTR2B 3485/4885KCNN4 4066/4885

“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.