SCHEMBL1462683

SCHEMBL1462683

CC1(CNc2nc(OCc3ccccc3)ccc2F)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GRM5 P41594 2/20 0.38
CYP11B2 P19099 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GRM2 Q14416 1/20 0.34
NUDT1 P36639 1/20 0.33

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
SCHEMBL1462622 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EGRM5CYP11B2SMN1; SMN2
SCHEMBL1191953 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EGRM5CYP11B2SMN1; SMN2
SCHEMBL1192323 0.83 TTK (0.36)
SCHEMBL12542361 0.78 TTK (0.34)
SCHEMBL1192511 0.77 TTK (0.31)
SCHEMBL1192387 0.77 CCNT1 (0.36) ALDH1A1KDM4E
SCHEMBL1462892 0.72 KDM1A (0.36) GRM5LMNAHTTNUDT1
SCHEMBL1462846 0.69 TXNRD1 (0.31)
SCHEMBL1225598 0.68 CCNT1 (0.35)
SCHEMBL1192405 0.67 CCNT1 (0.48)

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 5 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
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 854/4885GRM5 2931/4885

“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.