SCHEMBL10276342

SCHEMBL10276342

O=C1N=C(c2ccc(C(F)(F)F)cc2)c2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SRC P12931 2/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
TDP1 Q9NUW8 2/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
APP P05067 1/20 0.34
ADORA1 P30542 2/20 0.34
CFTR P13569 1/20 0.34
KIF11 P52732 1/20 0.34
BACE1 P56817 1/20 0.34
GLO1 Q04760 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL10276100 0.88 KIF11 (0.39) NPSR1KDM4ESRCBRAFKDR
SCHEMBL10275596 0.85 PGR (0.38) NPSR1KDM4ESRCBRAFKDR
SCHEMBL10275608 0.85 ADORA1 (0.42) BRAFKDRMAPK14NPC1RAB9A
SCHEMBL10275702 0.84 NPSR1 (0.44) NPSR1KDM4ESRCBRAFKDR
SCHEMBL10275213 0.83 APP (0.36) NPSR1KDM4EAPP
SCHEMBL10276098 0.80 KIF11 (0.35) BRAFKDRADORA1KIF11MAOB
SCHEMBL10276114 0.79 PGR (0.39) NPSR1KDM4ESRCBRAFKDR
SCHEMBL10275329 0.75 ARF6 (0.37) NPSR1BRAFKDRKIF11
SCHEMBL10313507 0.74 PGR (0.40) ALDH1A1LMNANPC1RAB9A
SCHEMBL10275925 0.73 PLAT (0.40) NPSR1KDM4ESRCBRAFKDR

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 3 patents. 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
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
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 NPSR1 1168/4885KDM4E 3483/4885SRC 1645/4885

“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.