SCHEMBL1463733

SCHEMBL1463733

CC1(C)CC(CNc2cccc(Br)n2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
CCNT1 O60563 12/20 0.49
CDK9 P50750 4/20 0.49
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRM4 Q14833 1/20 0.34
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 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
SCHEMBL1462643 0.81 CCNT1 (0.50) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL1192283 0.81 KCNH3 (0.48) CCNT1CDK9SLC6A2SLC6A4SLC6A3
SCHEMBL7010205 0.79 SLC6A2 (0.44) CCNT1CDK9SLC6A2SLC6A4SLC6A3
SCHEMBL10179002 0.77 CCNT1 (0.58) CCNT1CDK9
SCHEMBL1224586 0.76 CCNT1 (0.55) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL25298737 0.76 MEN1 (0.46) CCNT1SLC6A2SLC6A4SLC6A3
SCHEMBL1462699 0.75 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1463721 0.75 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1947398 0.75 CCNT1 (0.55) CCNT1CDK9
SCHEMBL15378010 0.74 CCNT1 (0.57) CCNT1CDK9

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 7 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
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 1763/4885MAPT 2436/4885KDM4E 854/4885

“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.