SCHEMBL3306581

SCHEMBL3306581

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N4CCC(O)(CN5CCOCC5)CC4)cc3)n2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.45
CCNE1 P24864 2/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
IKBKB O14920 3/20 0.43
CHUK O15111 3/20 0.43
CDK4 P11802 2/20 0.42
LMNA P02545 1/20 0.41
CSF1R P07333 1/20 0.41
TYK2 P29597 1/20 0.41
ULK2 Q8IYT8 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
IGF1R P08069 1/20 0.41
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
NAMPT P43490 1/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL3298024 0.93 IKBKB (0.44) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3295573 0.93 IKBKB (0.44) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3299415 0.92 MAPT (0.45) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3306739 0.92 IKBKB (0.43) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3306623 0.91 JAK2 (0.42) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3301539 0.91 IKBKB (0.44) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3300040 0.89 IKBKB (0.41) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3301214 0.89 IKBKB (0.42) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3299865 0.88 CDK4 (0.48) CDK2CCNE1JAK2JAK3IKBKB
SCHEMBL13392719 0.88 IKBKB (0.43) CDK2CCNE1JAK2JAK3SMN1; SMN2

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 CDK2 8/4885CCNE1 180/4885JAK2 160/4885

“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.