SCHEMBL1429142

SCHEMBL1429142

COc1ccc2c(c1)SC(=Cc1c[nH]c3ccc(OC)cc13)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
NTRK1 P04629 3/20 0.53
NTRK3 Q16288 2/20 0.53
NTRK2 Q16620 2/20 0.53
PRKD3 O94806 1/20 0.53
ABL1 P00519 1/20 0.53
RET P07949 1/20 0.53
PDGFRB P09619 1/20 0.53
LTK P29376 1/20 0.53
KDR P35968 1/20 0.53
MAP2K2 P36507 1/20 0.53
FLT3 P36888 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CDK8 P49336 1/20 0.53
CDK7 P50613 1/20 0.53
MAP2K1 Q02750 1/20 0.53
MST1R Q04912 1/20 0.53
AURKB Q96GD4 1/20 0.53

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
SCHEMBL4324078 1.00 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL8204790 0.77 POLB (0.58) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL8204792 0.77 POLB (0.58) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL11371014 0.75 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4325326 0.74 PIK3CA (0.67) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL4325330 0.74 PIK3CA (0.67) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL1429204 0.73 TYR (0.48) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL4323380 0.73 TYR (0.48) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL1093746 0.72 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19NTRK1NTRK3
SCHEMBL4328030 0.72 ACHE (0.53) CYP1A2CYP2C19NTRK1NTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US claimed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 ALDH1A1 2736/4885CYP1A2 1410/4885CYP2C19 674/4885

“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.