SCHEMBL2452602

SCHEMBL2452602

CON=Cc1c(N)ncnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.52
▸ EGFR P00533 6/20 0.51
▸ ERBB2 P04626 5/20 0.51
▸ KDR P35968 11/20 0.46
▸ FLT3 P36888 1/20 0.44

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
SCHEMBL12303702 1.00 RET (0.52) RETEGFRERBB2KDRFLT3
SCHEMBL28480333 0.87 RET (0.41) RETEGFRERBB2KDRFLT3
SCHEMBL9975298 0.77 EGFR (0.57) RETEGFRERBB2KDR
SCHEMBL20155722 0.75 EGFR (0.39) RETEGFRERBB2KDRFLT3
SCHEMBL2451218 0.74 RET (0.57) RETEGFRERBB2KDRFLT3
SCHEMBL1105383 0.74 EGFR (0.75) RETEGFRERBB2KDRFLT3
SCHEMBL4733212 0.74 EGFR (0.71) EGFRERBB2KDR
SCHEMBL1105407 0.74 EGFR (0.71) EGFRERBB2KDR
SCHEMBL12303657 0.74 RET (0.57) RETEGFRERBB2KDRFLT3
SCHEMBL1096859 0.74 EGFR (0.75) RETEGFRERBB2KDRFLT3

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
CN-106045918-A Substituted pyrimidine derivatives with Akt inhibiting activity, and preparation method and application thereof 山东大学 2016-10-26 — — CN disclosed
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

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 577/4885EGFR 1449/4885ERBB2 325/4885

“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.

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