SCHEMBL5475602

SCHEMBL5475602

COc1ccc(-n2c(CC#N)nc3cnccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
DRD1 P21728 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE10A Q9Y233 4/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
G6PD P11413 1/20 0.37
BMI1 P35226 1/20 0.37
CYP19A1 P11511 2/20 0.36
PIK3CD O00329 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
SCHEMBL4761992 0.79 CYP3A4 (0.40) MEN1KMT2AMAPK1ALDH1A1TSHR
SCHEMBL540452 0.78 DRD1 (0.58) DRD1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL9727037 0.73 CYP19A1 (0.46) CYP19A1
SCHEMBL9526774 0.73 PDPK1 (0.51) DRD1
SCHEMBL4718416 0.72 RPS6KA5 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL24463762 0.71 ALDH1A1 (0.37) MEN1KMT2AMAPK1ALDH1A1TSHR
SCHEMBL9726910 0.70 CYP19A1 (0.42) MAPK1TSHRHSD17B10PDE10ACYP19A1
SCHEMBL23675276 0.70 MEN1 (0.43) MEN1KMT2AMAPK1ALDH1A1TSHR
SCHEMBL23675240 0.69 HPGD (0.40) MAPK1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL4932156 0.68 KMT2A (0.49) KMT2ASMN1; 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-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 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-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA MEN1 2126/4885KMT2A 2508/4885MAPK1 135/4885

“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.