SCHEMBL9950178

SCHEMBL9950178

COCCNc1cncc(-c2cc(N)ncc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 9/20 0.44
CCNK O75909 7/20 0.43
CDK9 P50750 7/20 0.43
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL9950176 0.83 PIM1 (0.43) CCNT1CCNKCDK9PIM1PIM2
SCHEMBL9950510 0.80 CCNT1 (0.50) CCNT1PIM2ALDH1A1CYP1A2CLK4
SCHEMBL9949642 0.78 SMN1; SMN2 (0.45) CCNT1ALDH1A1
SCHEMBL9950123 0.78 SMN1; SMN2 (0.45) CCNT1ALDH1A1
SCHEMBL9949608 0.77 CCNT1 (0.60) CCNT1CCNKCDK9PIM1PIM2
SCHEMBL9950496 0.74 CCNT1 (0.63) CCNT1ALDH1A1
SCHEMBL9949998 0.74 CCNT1 (0.63) CCNT1
SCHEMBL31492959 0.74 HRH1 (0.44) CDK9PIM1PIM2ALDH1A1CYP1A2
SCHEMBL9949473 0.73 CCNT1 (0.51) CCNT1
SCHEMBL9949452 0.73 CCNT1 (0.59) CCNT1CDK9CYP1A2CYP2C19CLK4

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 39/4885CCNK 23/4885CDK9 16/4885

“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.