SCHEMBL10189705

SCHEMBL10189705

COc1cc(-c2nn[nH]c2-c2ccc(-c3ccncc3)cc2)cc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
TLR8 Q9NR97 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CYP17A1 P05093 1/20 0.35
ERN1 O75460 1/20 0.35
KIT P10721 1/20 0.35
PIK3CA P42336 1/20 0.35
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
TEK Q02763 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAK O14976 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL10189708 0.97 S1PR1 (0.37) S1PR1TLR8TLR9TLR7PDGFRB
SCHEMBL10189703 0.89 SMPD3 (0.41) PDGFRBPDGFRAMAPTCCNB2CDK1
SCHEMBL10189704 0.87 MAPK1 (0.43) S1PR1TLR8TLR7PDGFRBPDGFRA
SCHEMBL10189699 0.87 ALDH1A1 (0.35) PDGFRBPDGFRACCNB2CDK1CCNB1
SCHEMBL10189728 0.87 SMPD3 (0.41) PDGFRBMAPTCCNB2CDK1CCNB1
SCHEMBL10189702 0.86 CHEK1 (0.38) SMN1; SMN2CCNB2CDK1CCNB1GSK3A
SCHEMBL14847316 0.86 TUBB4A (0.41) S1PR1PDGFRBPDGFRAGAK
SCHEMBL407089 0.86 GAK (0.47) PDGFRBPDGFRASMN1; SMN2GAK
SCHEMBL10189749 0.84 TEK (0.34) TEKCCNB2CDK1CCNB1GSK3A
SCHEMBL10189723 0.84 FYN (0.39) ERN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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 (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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 S1PR1 405/4885TLR8 4753/4885TLR9 4581/4885

“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.