SCHEMBL9950884

SCHEMBL9950884

NC(=O)c1cc(-c2cncc(NCCN3CCCC3=O)n2)c(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 6/20 0.39
CDK9 P50750 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGLN2 Q96KS0 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
GRM2 Q14416 1/20 0.36
SYK P43405 1/20 0.36
RAB9A P51151 1/20 0.36
IRAK1 P51617 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL9950886 0.87 CCNT1 (0.41) CCNT1KDM4EALDH1A1KMT2ACDK9
SCHEMBL10285630 0.78 CDK9 (0.53) CCNT1CDK9
SCHEMBL10179191 0.78 CCNT1 (0.48) CCNT1CDK9
SCHEMBL9950176 0.77 PIM1 (0.43) CCNT1CDK9IRAK4
SCHEMBL9950504 0.77 CCNT1 (0.48) CCNT1ALDH1A1CYP1A2CYP3A4
SCHEMBL9949605 0.76 CCNT1 (0.57) CCNT1CDK9IRAK4
SCHEMBL9949639 0.74 KDM4E (0.41) CCNT1KDM4EALDH1A1SMN1; SMN2SYK
SCHEMBL9950120 0.74 KDM4E (0.41) CCNT1KDM4EALDH1A1SMN1; SMN2SYK
SCHEMBL9949243 0.72 CCNT1 (0.53) CCNT1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9950549 0.72 CCNT1 (0.53) CCNT1ALDH1A1KMT2AMEN1SMN1; SMN2

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 39/4885KDM4E 1223/4885ALDH1A1 1528/4885

“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.