SCHEMBL1462873

SCHEMBL1462873

CC1(C)CC(CNc2nc(OS(=O)(=O)C(F)(F)F)ccc2F)CCO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CCNT1 O60563 5/20 0.39
CDK9 P50750 3/20 0.36
GRM2 Q14416 4/20 0.32
FFAR2 O15552 1/20 0.31
HTT P42858 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
IDO1 P14902 1/20 0.31
GRM4 Q14833 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12542162 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL1192308 0.85 PTGS1 (0.40) CCNT1CDK9PTGS1PTGS2
SCHEMBL1462902 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL1461905 0.79 AOC2 (0.35)
SCHEMBL1461876 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL1192511 0.75 TTK (0.31) CCNT1CDK9
SCHEMBL1947972 0.74 FFAR2 (0.41) KDM4EFFAR2HTTMEN1KMT2A
SCHEMBL12542004 0.74 PTGS1 (0.41) ALDH1A1CCNT1CDK9PTGS1PTGS2
SCHEMBL1462674 0.71 CYP2C9 (0.33)
SCHEMBL1945103 0.71 RORC (0.32)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 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-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 ALDH1A1 1763/4885KDM4E 854/4885GAA 391/4885

“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.