SCHEMBL4557945

SCHEMBL4557945

C=C1Oc2ccc(OC)c(-c3c[nH]c4ccccc34)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
KDR P35968 6/20 0.45
PDGFRB P09619 7/20 0.42
FLT4 P35916 5/20 0.42
FLT3 P36888 5/20 0.42
PLK4 O00444 3/20 0.42
AURKA O14965 3/20 0.42
SRC P12931 3/20 0.42
TEK Q02763 3/20 0.42
AURKB Q96GD4 3/20 0.42
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
NUAK1 O60285 2/20 0.42
EGFR P00533 2/20 0.42
INSR P06213 2/20 0.42
IGF1R P08069 2/20 0.42
KIT P10721 2/20 0.42
PTK2 Q05397 2/20 0.42
PDGFRA P16234 2/20 0.42

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
SCHEMBL4557937 0.84 MAOB (0.41) CDK4CCND1ABL1CDK2GSK3B
SCHEMBL4557944 0.84 KDR (0.45) CYP1A1CYP1B1KDRPDGFRBFLT4
SCHEMBL4557955 0.82 PIK3CA (0.41) PDGFRBCDK4CCND1ABL1CDK2
SCHEMBL4557411 0.81 MAPT (0.42) PDGFRBCDK4CCND1ABL1CDK2
SCHEMBL4556996 0.78 PTPRC (0.45) PDGFRBCDK4CCND1ABL1CDK2
SCHEMBL4557936 0.70 MAOB (0.41) PDGFRBCDK4CCND1ABL1CDK2
SCHEMBL7149485 0.68 CYP2A6 (0.50) CYP1A1CYP1B1KDRPDGFRBFLT4
SCHEMBL4420502 0.68 HTR2C (0.38) PIM1
SCHEMBL4557409 0.68 MAPT (0.43) CDK4CCND1ABL1CDK2MAOB
SCHEMBL4556994 0.67 PTPRC (0.47) PDGFRBCDK4CCND1ABL1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A1 1367/4885CYP1B1 808/4885KDR 1642/4885

“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.