SCHEMBL9950504

SCHEMBL9950504

CC(=O)NCCNc1cncc(-c2cc(C(N)=O)ncc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.48
PIM2 Q9P1W9 3/20 0.48
CYP1A2 P05177 3/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRAF P15056 5/20 0.37
GLP1R P43220 1/20 0.37
TSHR P16473 1/20 0.36
PIM1 P11309 1/20 0.36
SUV39H2 Q9H5I1 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
SCHEMBL9950510 0.87 CCNT1 (0.50) CCNT1PIM2CYP1A2CLK4ALDH1A1
SCHEMBL9950176 0.85 PIM1 (0.43) CCNT1PIM2BRAFPIM1
SCHEMBL9949639 0.81 KDM4E (0.41) CCNT1ALDH1A1BRAF
SCHEMBL9950120 0.81 KDM4E (0.41) CCNT1ALDH1A1BRAF
SCHEMBL10179191 0.79 CCNT1 (0.48) CCNT1
SCHEMBL9949605 0.79 CCNT1 (0.57) CCNT1PIM2PIM1
SCHEMBL9950884 0.77 CCNT1 (0.40) CCNT1CYP1A2ALDH1A1CYP3A4
SCHEMBL9949992 0.77 CCNT1 (0.50) CCNT1BRAF
SCHEMBL9950495 0.77 CCNT1 (0.49) CCNT1ALDH1A1BRAF
SCHEMBL9950800 0.76 SIRT6 (0.44) PIM2TSHRPIM1

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 39/4885PIM2 658/4885CYP1A2 2152/4885

“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.