SCHEMBL9949468

SCHEMBL9949468

NC(=O)c1cc(-c2cncc(NCc3ccccn3)n2)c(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
KCNH2 Q12809 3/20 0.42
KCNA5 P22460 1/20 0.42
SCN9A Q15858 1/20 0.42
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCNT1 O60563 1/20 0.40
PLAU P00749 2/20 0.40
FGFR1 P11362 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TPH1 P17752 1/20 0.39
ADRA1D P25100 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9949473 0.84 CCNT1 (0.51) ADORA2AADORA1HPGDNPC1CCNT1
SCHEMBL9949449 0.84 CCNT1 (0.51) RETSCN9ACYP1A2CYP3A4CCNT1
SCHEMBL9949767 0.83 CCNT1 (0.43) CYP1A2CYP3A4CYP2C19CCNT1
SCHEMBL9950495 0.80 CCNT1 (0.49) KCNH2HPGDALDH1A1CCNT1KDM4E
SCHEMBL9949992 0.78 CCNT1 (0.50) CCNT1
SCHEMBL9949605 0.77 CCNT1 (0.57) CCNT1
SCHEMBL9950120 0.77 KDM4E (0.41) ALDH1A1CCNT1KDM4E
SCHEMBL9949639 0.77 KDM4E (0.41) ALDH1A1CCNT1KDM4E
SCHEMBL9949833 0.76 CCNT1 (0.56) CCNT1
SCHEMBL9950176 0.76 PIM1 (0.43) 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 RET 1957/4885ADORA2A 3934/4885ADORA1 4238/4885

“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.