SCHEMBL12466375

SCHEMBL12466375

COC[C@H](C)N[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 1.00
CDK9 P50750 15/20 1.00
CCNK O75909 5/20 1.00
CDK14 O94921 2/20 1.00
CDK1 P06493 2/20 1.00
CCNA2 P20248 2/20 1.00
CDK2 P24941 2/20 1.00
CDK5 Q00535 2/20 1.00
CDK16 Q00536 2/20 1.00
CDK17 Q00537 1/20 1.00
CDK18 Q07002 1/20 1.00
DYRK1B Q9Y463 1/20 1.00
CCNB1 P14635 1/20 0.59
CDK7 P50613 1/20 0.59
CCNH P51946 1/20 0.59
MNAT1 P51948 1/20 0.59
CDK5R1 Q15078 1/20 0.59
CCNY Q8ND76 1/20 0.59

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
SCHEMBL29394723 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL1192177 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL12850532 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL1192176 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL18955510 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL15378323 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL15378321 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL12465827 0.95 CCNT1 (0.91) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL12466044 0.95 CCNT1 (0.90) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL12466043 0.95 CCNT1 (0.90) CCNT1CDK9CCNKCDK14CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 EP claimed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US claimed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO claimed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 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-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CCNT1 50/4885CDK9 1/4885CCNK 29/4885

“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.