SCHEMBL10276244

SCHEMBL10276244

CCc1nn2c(=O)cc(-c3ccccc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ARF6 P62330 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 4/20 0.33
TP53 P04637 1/20 0.31

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
SCHEMBL10275351 0.88 RAD51 (0.35) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL10276360 0.87 KDM4E (0.36) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL10275424 0.79 NPC1 (0.46) ADORA1
SCHEMBL10313576 0.79 ADORA1 (0.40) ADORA2AADORA2BADORA1
SCHEMBL10275202 0.74 MAPT (0.39) MAPTTP53
SCHEMBL10275378 0.74 NPC1 (0.38) MAPTTHRB
SCHEMBL10276069 0.74 MAPT (0.49) MAPTALDH1A1BRD4TP53
SCHEMBL10275521 0.73 AR (0.36) ALDH1A1BRD4
SCHEMBL10276280 0.71 ARF6 (0.41) MAPTARF6ALDH1A1
SCHEMBL10275665 0.71 CFTR (0.38) MAPTTHRBLMNAARF6ALDH1A1

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 claimed

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 MAPT 750/4885THRB 1178/4885LMNA 1504/4885

“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.