SCHEMBL3302818

SCHEMBL3302818

Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N4CCC(N(C)Cc5cccc6ncccc56)CC4)cc3)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
CDK1 P06493 3/20 0.41
CDK2 P24941 3/20 0.41
TACR1 P25103 1/20 0.41
PTK2 Q05397 10/20 0.41
AURKA O14965 2/20 0.39
SYK P43405 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL3298132 0.91 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3295552 0.90 IKBKB (0.44) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3324217 0.88 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3299994 0.88 IKBKB (0.45) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3301388 0.88 IKBKB (0.45) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3301574 0.87 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3299557 0.87 IKBKB (0.48) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3303267 0.86 IKBKB (0.51) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3299104 0.86 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3303691 0.86 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2

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-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 IKBKB 2/4885CHUK 1/4885IKBKG 9/4885

“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.