SCHEMBL12338570

SCHEMBL12338570

COc1cc(-c2oncc2-c2ccc3cccnc3c2)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SYK P43405 1/20 0.37
MAPK14 Q16539 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
S1PR1 P21453 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
UTRN P46939 1/20 0.35
DHFR P00374 1/20 0.35
RIPK1 Q13546 1/20 0.35
GAK O14976 1/20 0.35
CHEK2 O96017 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
SCHEMBL1167718 0.88 SYK (0.50) PDGFRBPDGFRANPC1RAB9AALDH1A1
SCHEMBL12338566 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1SYKS1PR1
SCHEMBL12338573 0.81 CYP11B1 (0.45) NPC1RAB9AMAPK14S1PR1MEN1
SCHEMBL12338633 0.80 S1PR1 (0.47) NPC1RAB9AS1PR1
SCHEMBL12338560 0.79 S1PR1 (0.47) NPC1RAB9AS1PR1
SCHEMBL10188831 0.79 PDGFRB (0.41) PDGFRBPDGFRANPC1RAB9AALDH1A1
SCHEMBL12338563 0.78 S1PR1 (0.43) PDGFRBPDGFRANPC1S1PR1MEN1
SCHEMBL12338552 0.78 CD274 (0.44) PDGFRBPDGFRANPC1RAB9AALDH1A1
SCHEMBL12338616 0.78 MEN1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL12338655 0.78 MEN1 (0.49) PDGFRBPDGFRAMEN1KMT2ACHEK2

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-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-8269017-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2012-09-18 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US 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 (3 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-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PDGFRB 186/4885PDGFRA 195/4885NPC1 650/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PDGFRB 186/4885PDGFRA 195/4885NPC1 650/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PDGFRB 186/4885PDGFRA 195/4885NPC1 650/4885

“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.