Sugi Predict

Sugi Predict / Compounds / SCHEMBL4887079

SCHEMBL4887079

SCHEMBL4887079

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N(C)C4CCC(F)(F)CC4)cc3)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ CA2 P00918 6/20 0.41
▸ CA1 P00915 5/20 0.41
▸ KDR P35968 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ AURKA O14965 3/20 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
SCHEMBL4621373 0.89 CDK2 (0.47) CDK2CDK4CCNE1JAK2JAK3
Hydrochloric Acid SCHEMBL4881901 0.88 CDK2 (0.47) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4621383 0.88 HTR2A (0.49) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4787050 0.84 CDK2 (0.45) CDK2CDK4CCNE1JAK2JAK3
Hydrochloric Acid SCHEMBL4904482 0.83 CDK2 (0.44) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4623101 0.83 JAK2 (0.44) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4882012 0.83 CDK4 (0.42) CDK2CDK4CCNE1JAK2JAK3
Methane SCHEMBL4882021 0.82 CDK2 (0.41) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4649530 0.82 JAK2 (0.40) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4622742 0.81 IKBKB (0.49) CDK2CDK4CCNE1CA2CA1

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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 — — WO 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE CDK2 9/4885CDK4 54/4885CCNE1 271/4885

“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.