SCHEMBL9950495

SCHEMBL9950495

NC(=O)c1cc(-c2cncc(NCc3ccc(F)cc3)n2)c(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.49
BRAF P15056 2/20 0.44
KCNH2 Q12809 2/20 0.43
GRM2 Q14416 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL9949992 0.90 CCNT1 (0.50) CCNT1BRAF
SCHEMBL9949449 0.84 CCNT1 (0.51) CCNT1
SCHEMBL9949767 0.84 CCNT1 (0.43) CCNT1BRAF
SCHEMBL9950496 0.84 CCNT1 (0.63) CCNT1KDM4EALDH1A1HPGD
SCHEMBL9949833 0.81 CCNT1 (0.56) CCNT1BRAF
SCHEMBL9949468 0.80 RET (0.45) CCNT1KCNH2KDM4EALDH1A1HPGD
SCHEMBL9949639 0.78 KDM4E (0.41) CCNT1BRAFKDM4EALDH1A1
SCHEMBL9949605 0.78 CCNT1 (0.57) CCNT1
SCHEMBL9950120 0.78 KDM4E (0.41) CCNT1BRAFKDM4EALDH1A1
SCHEMBL9950176 0.77 PIM1 (0.43) CCNT1BRAF

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 3 patents. 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 claimed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
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 39/4885BRAF 215/4885KCNH2 3145/4885

“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.