SCHEMBL3301788

SCHEMBL3301788

Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N4CCC(N(C)Cc5cnn(C)c5C)CC4)cc3)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.44
CDK2 P24941 9/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
PTK2 Q05397 3/20 0.40
NTRK1 P04629 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
AURKA O14965 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK9 P50750 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL4093045 0.94 IKBKB (0.40) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL4092769 0.90 IKBKB (0.37) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL3295498 0.87 IKBKB (0.41) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL13392156 0.86 IKBKB (0.43) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL3301843 0.86 CDK1 (0.45) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL3301250 0.86 CDK1 (0.45) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL3301336 0.86 IKBKB (0.45) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL3295552 0.86 IKBKB (0.44) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL3302166 0.86 CDK1 (0.44) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL3299104 0.86 IKBKB (0.46) CDK1CDK2IKBKBCHUKIKBKG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US claimed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE CDK1 15/4885CDK2 8/4885IKBKB 2/4885

“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.