SCHEMBL9949679

SCHEMBL9949679

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
IDH1 O75874 1/20 0.37
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL9949270 1.00 CCNT1 (0.39) CCNT1LDHALDHBIDH1GSK3B
SCHEMBL9949269 0.84 GSK3B (0.39) CCNT1LDHALDHBGSK3BDYRK1A
SCHEMBL9949677 0.84 GSK3B (0.39) CCNT1LDHALDHBGSK3BDYRK1A
SCHEMBL9949451 0.74 CCNT1 (0.58) CCNT1
SCHEMBL9949608 0.73 CCNT1 (0.60) CCNT1
SCHEMBL9950123 0.72 SMN1; SMN2 (0.45) CCNT1
SCHEMBL9949642 0.72 SMN1; SMN2 (0.45) CCNT1
SCHEMBL1461835 0.71 CCNT1 (0.44) CCNT1
SCHEMBL1947509 0.71 CCNT1 (0.44) CCNT1
SCHEMBL1947637 0.71 CCNT1 (0.44) CCNT1

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 CCNT1 39/4885LDHA 2579/4885LDHB 2267/4885

“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.