SCHEMBL10313591

SCHEMBL10313591

Cc1nn2c(=O)cc(-c3ccc(C#N)cc3)[nH]c2c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
SLC11A2 P49281 1/20 0.40
CYP19A1 P11511 1/20 0.40
CRHR1 P34998 1/20 0.39
PLAT P00750 1/20 0.39
ARF6 P62330 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ATM Q13315 2/20 0.38
CSF1R P07333 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KHK P50053 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
SCHEMBL10313454 0.92 ALDH1A1 (0.41) KDM4EGAASLC11A2CRHR1PLAT
SCHEMBL10275651 0.89 AR (0.43) CRHR1PLATARF6MAPT
SCHEMBL1614504 0.89 ADORA2A (0.45) KDM4EGAAPLATALDH1A1RXFP1
SCHEMBL10275316 0.87 KIF11 (0.43) GAACRHR1PLATARF6ALDH1A1
SCHEMBL13516556 0.87 ADORA2A (0.41) KDM4EGAAPLATALDH1A1HPGD
SCHEMBL24221653 0.85 PLAT (0.43) KDM4EPLATALDH1A1HPGDHSD17B10
SCHEMBL1613449 0.85 TP53 (0.48) KDM4EGAAARF6ALDH1A1HPGD
SCHEMBL13516328 0.85 TP53 (0.48) KDM4EGAAARF6ALDH1A1HPGD
SCHEMBL13516682 0.85 CDC7 (0.46) KDM4EPLATKMT2AMEN1MAPT
SCHEMBL13516471 0.85 PLAT (0.43) KDM4EPLATALDH1A1HPGDHSD17B10

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 KDM4E 3483/4885GAA 1594/4885SLC11A2 4127/4885

“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.