SCHEMBL10313600

SCHEMBL10313600

Cc1nn2c(c1-c1ccccc1)N=C(c1ccc(C#N)cc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.42
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
AR P10275 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
SLC34A1 Q06495 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL10276054 0.89 AR (0.46) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10275292 0.86 KIF11 (0.46) SLC11A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10313601 0.81 ATM (0.40) SLC11A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10275478 0.79 AR (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28782224 0.78 MAPT (0.37) ARSMN1; SMN2ALDH1A1ATMMEN1
SCHEMBL10276308 0.75 ADORA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275284 0.74 SLC11A2 (0.40) SLC11A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10313517 0.72 MAT2A (0.38) SLC11A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10275862 0.68 AR (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275434 0.68 KIF11 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 SLC11A2 4127/4885GABRA1 1257/4885GABRG2 2687/4885

“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.