SCHEMBL9949767

SCHEMBL9949767

NC(=O)c1cc(-c2cncc(NCc3ccccc3F)n2)c(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.43
BRAF P15056 1/20 0.41
VNN1 O95497 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
VCP P55072 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9949770 0.84 CCNT1 (0.55) CCNT1MEN1MAPTKMT2AATM
SCHEMBL9950495 0.84 CCNT1 (0.49) CCNT1BRAF
SCHEMBL9949468 0.83 RET (0.45) CCNT1CYP1A2CYP3A4CYP2C19
SCHEMBL9949992 0.82 CCNT1 (0.50) CCNT1BRAF
SCHEMBL9949449 0.81 CCNT1 (0.51) CCNT1VNN1CYP1A2CYP3A4
SCHEMBL9949833 0.78 CCNT1 (0.56) CCNT1BRAF
SCHEMBL9949639 0.76 KDM4E (0.41) CCNT1BRAF
SCHEMBL9950120 0.76 KDM4E (0.41) CCNT1BRAF
SCHEMBL9949605 0.76 CCNT1 (0.57) CCNT1
SCHEMBL9950176 0.75 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 215/4885VNN1 3726/4885

“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.