SCHEMBL9949473

SCHEMBL9949473

Nc1cc(-c2cncc(NCc3ccccn3)n2)c(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.51
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FYN P06241 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KMT2A Q03164 2/20 0.38
FGFR1 P11362 1/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CHRNA7 P36544 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
SCHEMBL9949468 0.84 RET (0.45) CCNT1KDM4ENPC1RAB9AHPGD
SCHEMBL9949452 0.82 CCNT1 (0.59) CCNT1FYNKMT2AMEN1
SCHEMBL9949770 0.81 CCNT1 (0.55) CCNT1HPGDFYNKMT2AMEN1
SCHEMBL9950496 0.78 CCNT1 (0.63) CCNT1KDM4EHPGDFYN
SCHEMBL9949998 0.76 CCNT1 (0.63) CCNT1
SCHEMBL9949608 0.74 CCNT1 (0.60) CCNT1
SCHEMBL12850433 0.74 CCNT1 (0.72) CCNT1
SCHEMBL9949837 0.73 CCNT1 (0.59) CCNT1FYN
SCHEMBL9949642 0.73 SMN1; SMN2 (0.45) CCNT1KDM4ESMN1; SMN2
SCHEMBL9950178 0.73 CCNT1 (0.44) 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 CCNT1 39/4885MAOA 3065/4885MAOB 2274/4885

“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.