SCHEMBL3582129

SCHEMBL3582129

O=S(=O)(c1ccc(Nc2nccc(Cl)n2)cc1)N(CCN1CCCC1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRC P12931 7/20 0.40
CDK2 P24941 2/20 0.40
CCNE1 P24864 1/20 0.40
JAK2 O60674 3/20 0.39
AURKB Q96GD4 1/20 0.39
ABL1 P00519 6/20 0.39
CDK4 P11802 1/20 0.39
PDGFRB P09619 1/20 0.38
JAK3 P52333 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
SCHEMBL4880614 0.87 SRC (0.39) SRCJAK2ABL1PDGFRBJAK3
SCHEMBL3582473 0.83 ROCK1 (0.40) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3568059 0.82 GPR119 (0.42) SRCCDK2ABL1CDK4
SCHEMBL3576857 0.80 ROCK1 (0.40) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3837058 0.80 CHRNA7 (0.35) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL4881897 0.78 MAPT (0.40) SRCCDK2JAK2JAK3
SCHEMBL4623410 0.78 MAPT (0.46) AURKACDK1CCNB1SRCCDK2
SCHEMBL4875629 0.78 MAPT (0.41) CDK2CCNE1JAK2CDK4JAK3
SCHEMBL4623127 0.78 MAPT (0.45) SRCCDK2CCNE1JAK2JAK3
SCHEMBL4621447 0.78 MAPT (0.45) AURKACDK1CCNB1SRCCDK2

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-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
EP-2108016-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-14 EP disclosed
WO-2008099075-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 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-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS CHUK, IKBKB, IKBKE AURKA 637/4885CDK1 65/4885CCNB1 356/4885

“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.