SCHEMBL2453476

SCHEMBL2453476

Nc1ncnc(Oc2ccc(C(=O)c3ccccc3)cc2)c1C=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
BTK Q06187 4/20 0.44
STS P08842 1/20 0.43
SRD5A2 P31213 3/20 0.43
KDR P35968 4/20 0.43
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.41
GAA P10253 1/20 0.40
ELANE P08246 3/20 0.40
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40

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
SCHEMBL2450655 0.83 RET (0.69) RETKDR
SCHEMBL2450652 0.83 RET (0.69) RETKDR
SCHEMBL2455549 0.82 KDR (0.49) RETBTKSRD5A2KDREGFR
SCHEMBL2448477 0.81 RET (0.65) RETKDR
SCHEMBL2451247 0.80 MAOB (0.48) RETKDREGFRGAA
SCHEMBL2450638 0.78 RET (0.54) RETKDR
SCHEMBL838399 0.75 TRPA1 (0.47) POLBEGFRGAAMAP3K7TAB1
SCHEMBL2453347 0.74 ALDH1A1 (0.46) RETKDR
SCHEMBL2453267 0.72 RET (0.74) RETKDR
SCHEMBL2454668 0.72 RET (0.74) RETKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK RET 577/4885BTK 287/4885STS 2953/4885

“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.