SCHEMBL4557944

SCHEMBL4557944

C=C1Oc2c(ccc(OC)c2-c2c[nH]c3ccccc23)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PIM1 P11309 2/20 0.43
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

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
SCHEMBL4557936 0.84 MAOB (0.41) PIM1PDGFRBCDK4CCND1ABL1
SCHEMBL4557945 0.84 CYP1A1 (0.47) KDRCYP1A1CYP1B1PIM1PDGFRB
SCHEMBL4557409 0.82 MAPT (0.43) PIM1CDK4CCND1ABL1CDK2
SCHEMBL4556994 0.77 PTPRC (0.47) PIM1PDGFRBCDK4CCND1ABL1
SCHEMBL4557953 0.71 MAOB (0.43) PIM1CDK4CCND1ABL1CDK2
SCHEMBL4557937 0.70 MAOB (0.41) PIM1CDK4CCND1ABL1CDK2
SCHEMBL4420499 0.69 HTR2C (0.38) PIM1MEN1KMT2AKDM4EUSP2
SCHEMBL4557411 0.69 MAPT (0.42) PIM1PDGFRBCDK4CCND1ABL1
SCHEMBL7149485 0.68 CYP2A6 (0.50) KDRCYP1A1CYP1B1PDGFRBFLT4
SCHEMBL4556996 0.68 PTPRC (0.45) PIM1PDGFRBCDK4CCND1ABL1

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

“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.