SCHEMBL1462640

SCHEMBL1462640

N#CC1(CNc2cccc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)n2)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 17/20 0.59
CCNT1 O60563 11/20 0.59
CDK2 P24941 3/20 0.55
CCNK O75909 1/20 0.55
CDK14 O94921 1/20 0.55
CDK1 P06493 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK16 Q00536 1/20 0.55
CDK17 Q00537 1/20 0.55
CDK18 Q07002 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53

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
SCHEMBL10285983 0.91 CDK9 (0.56) CDK9CCNT1
SCHEMBL1464191 0.89 CDK9 (0.63) CDK9CCNT1
SCHEMBL1462944 0.89 CDK9 (0.61) CDK9CCNT1
SCHEMBL10242904 0.87 CDK9 (0.58) CDK9
SCHEMBL1462005 0.85 CCNT1 (0.77) CDK9CCNT1
SCHEMBL1946423 0.85 CDK9 (0.55) CDK9CCNT1
SCHEMBL1947987 0.85 CCNT1 (0.77) CDK9CCNT1
SCHEMBL1949075 0.85 CCNT1 (0.77) CDK9CCNT1
SCHEMBL1946122 0.83 CCNT1 (0.73) CDK9CCNT1
SCHEMBL1946376 0.82 CDK9 (0.64) CDK9CCNT1

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
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US claimed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO claimed
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 CDK9 5/4885CCNT1 47/4885CDK2 1/4885

“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.