SCHEMBL9950802

SCHEMBL9950802

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.47
CCNT1 O60563 6/20 0.42
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CYP11B2 P19099 2/20 0.35
FGFR1 P11362 2/20 0.35
SRC P12931 2/20 0.35
CYP11B1 P15538 1/20 0.35
PDPK1 O15530 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PIK3CA P42336 1/20 0.32
SCN2A Q99250 1/20 0.31
PIK3CD O00329 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KMO O15229 1/20 0.30

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
SCHEMBL1440830 0.83 NOS1 (0.44) CDK2CCNT1PIM1PIM3PIM2
SCHEMBL1441156 0.80 CYP11B2 (0.49) CDK2CCNT1PIM1PIM3PIM2
SCHEMBL9949281 0.77 HSP90AA1 (0.42) CCNT1PIM1PIM3PIM2FGFR1
SCHEMBL9950800 0.76 SIRT6 (0.44) CDK2PIM1PIM3PIM2
SCHEMBL9949608 0.73 CCNT1 (0.60) CCNT1PIM1PIM3PIM2
SCHEMBL9950178 0.72 CCNT1 (0.44) CCNT1PIM1PIM2
SCHEMBL9950123 0.72 SMN1; SMN2 (0.45) CCNT1
SCHEMBL9949642 0.72 SMN1; SMN2 (0.45) CCNT1
SCHEMBL12849904 0.72 CCNT1 (0.54) CCNT1FGFR1SRCPDPK1NOS3
SCHEMBL9949451 0.72 CCNT1 (0.58) 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 CDK2 5/4885CCNT1 39/4885PIM1 491/4885

“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.