SCHEMBL13258476

SCHEMBL13258476

Cc1cc(Nc2ccncc2)ccc1NCCc1c[nH]c2c(C(C)(C)O)cccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.34
PTGS2 P35354 3/20 0.33
TGFBR1 P36897 2/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHEK1 O14757 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
MAPT P10636 2/20 0.33
SPR P35270 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL13259096 0.89 CDK2 (0.34) CDK2PTGS2HTR2AALDH1A1MEN1
SCHEMBL13258421 0.84 PTGS2 (0.37) CDK2PTGS2HTR2AALDH1A1SMN1; SMN2
SCHEMBL15267556 0.83 ALDH1A1 (0.47) CDK2PTGS2HTR2AALDH1A1MEN1
SCHEMBL19114665 0.83 HTR2A (0.34) CDK2PTGS2TGFBR1HTR2AALDH1A1
SCHEMBL13258414 0.82 HTR2A (0.34) CDK2PTGS2HTR2AALDH1A1MEN1
SCHEMBL13258427 0.82 HTR2A (0.43) CDK2HTR2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13258411 0.81 PTGS2 (0.30) PTGS2
SCHEMBL8068972 0.81 CDK2 (0.49) CDK2PTGS2HTR2AALDH1A1MEN1
SCHEMBL15267231 0.80 PTGS2 (0.30) PTGS2
SCHEMBL13258483 0.80 PTGS2 (0.30) PTGS2

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-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
WO-2010089327-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 WO 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-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS IDO1, IDO2, INMT CDK2 114/4885PTGS2 686/4885TGFBR1 3943/4885

“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.