SCHEMBL1945582

SCHEMBL1945582

O=C(Nc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.68
CDK9 P50750 4/20 0.64
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57

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
SCHEMBL1945487 0.99 CCNT1 (0.67) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1947792 0.96 CCNT1 (0.70) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1948052 0.94 CCNT1 (0.63) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1945131 0.93 CCNT1 (0.70) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1946122 0.93 CCNT1 (0.73) CCNT1CDK9
SCHEMBL1949097 0.92 CCNT1 (0.69) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1947977 0.92 CCNT1 (0.59) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1949075 0.92 CCNT1 (0.77) CCNT1CDK9
SCHEMBL1947987 0.92 CCNT1 (0.77) CCNT1CDK9
SCHEMBL1462005 0.92 CCNT1 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNT1 47/4885CDK9 5/4885HDAC3 487/4885

“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.