SCHEMBL3300385

SCHEMBL3300385

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N4CCCC(O)(CN5CCc6ccccc6C5)C4)cc3)n2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
CDK2 P24941 2/20 0.38
CDK4 P11802 1/20 0.38
CCNE1 P24864 1/20 0.38
TNF P01375 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NOD1 Q9Y239 2/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3301913 0.96 JAK2 (0.40) KMT2AMEN1JAK2JAK3CDK2
SCHEMBL3299578 0.90 MAPT (0.42) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3298357 0.87 JAK2 (0.39) KMT2AMEN1JAK2JAK3CDK2
SCHEMBL3306623 0.87 JAK2 (0.42) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3300227 0.86 CDK4 (0.41) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3299288 0.85 CCNE1 (0.38) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3298059 0.84 CDK2 (0.44) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3306899 0.83 CDK2 (0.39) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3298024 0.81 IKBKB (0.44) KMT2AMEN1JAK2JAK3CDK2
SCHEMBL3295573 0.81 IKBKB (0.44) KMT2AMEN1JAK2JAK3CDK2

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 KMT2A 2104/4885MEN1 3381/4885JAK2 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.