SCHEMBL9949677

SCHEMBL9949677

C[C@H](Nc1cncc(-c2cc(C(N)=O)ncc2Cl)n1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.39
DYRK1A Q13627 6/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
CCNT1 O60563 9/20 0.39
RPS6KB1 P23443 1/20 0.38
CCR4 P51679 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL9949269 1.00 GSK3B (0.39) GSK3BDYRK1ALDHALDHBCCNT1
SCHEMBL9949270 0.84 CCNT1 (0.39) GSK3BDYRK1ALDHALDHBCCNT1
SCHEMBL9949679 0.84 CCNT1 (0.39) GSK3BDYRK1ALDHALDHBCCNT1
SCHEMBL10179191 0.78 CCNT1 (0.48) CCNT1CDK9
SCHEMBL10285397 0.77 CDK9 (0.59) GSK3BDYRK1ACCNT1CDK9
SCHEMBL10285384 0.77 CDK9 (0.59) GSK3BDYRK1ACCNT1CDK9
SCHEMBL9949448 0.76 CCNT1 (0.55) GSK3BDYRK1ACCNT1
SCHEMBL9949605 0.76 CCNT1 (0.57) CCNT1CDK9
SCHEMBL9949639 0.76 KDM4E (0.41) CCNT1FFAR4
SCHEMBL9950120 0.76 KDM4E (0.41) CCNT1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI GSK3B 1536/4885DYRK1A 1864/4885LDHA 2579/4885

“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.