SCHEMBL4556994

SCHEMBL4556994

C=C1Oc2c(cccc2-c2c[nH]c3ccccc23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN1 P18031 1/20 0.47
CDC25B P30305 1/20 0.47
SIRT2 Q8IXJ6 3/20 0.45
PIM1 P11309 2/20 0.45
CAMK2D Q13557 2/20 0.45
PRKD3 O94806 1/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
ABL1 P00519 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
PRKCA P17252 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45

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
SCHEMBL4557953 0.84 MAOB (0.43) PTPRCPTPRFPTPN1CDC25BSIRT2
SCHEMBL4556996 0.81 PTPRC (0.45) PTPRCPTPRFPTPN1CDC25BSIRT2
SCHEMBL4557936 0.80 MAOB (0.41) PTPRCPTPRFPTPN1CDC25BSIRT2
SCHEMBL4557409 0.80 MAPT (0.43) PTPRCPTPRFPTPN1CDC25BSIRT2
SCHEMBL4562693 0.79 GSK3B (0.38) PIM1PRKD3ABL1CDK2PRKD1
SCHEMBL4562596 0.79 TGFBR1 (0.50) PIM1PRKACACDK2KMT2A
SCHEMBL4557944 0.77 KDR (0.45) SIRT2PIM1CAMK2DPRKD3CCNB2
SCHEMBL1202543 0.72 IMPDH2 (0.63) PTPRCPTPRFPTPN1CDC25BSIRT2
SCHEMBL7197287 0.70 PRKCB (0.68) PTPRCPTPRFPTPN1CDC25BSIRT2
SCHEMBL10438759 0.70 SIRT2 (0.58) PTPRCPTPRFPTPN1CDC25BSIRT2

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 PTPRC 1031/4885PTPRF 984/4885PTPN1 728/4885

“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.