SCHEMBL10276231

SCHEMBL10276231

Cc1nn2c(=O)cc(-c3ccc(C(F)(F)F)nc3)[nH]c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
PLAT P00750 4/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE2A O00408 5/20 0.38
SLC11A2 P49281 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PDE5A O76074 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
RAD51 Q06609 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 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
SCHEMBL10313475 0.93 ALPL (0.41) CNR1PLATKDM5BPDE5ARAD51
SCHEMBL10313508 0.86 PLAT (0.42) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10275312 0.82 CNR1 (0.41) CNR1KDM5B
SCHEMBL10275770 0.81 CNR1 (0.41) CNR1PLATPDE2ASLC11A2KDM5B
SCHEMBL10275316 0.81 KIF11 (0.43) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10275482 0.80 PLAT (0.40) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10275473 0.80 CNR1 (0.42) CNR1PLATMAPTPDE2A
SCHEMBL10275680 0.80 PLAT (0.38) CNR1PLATNPC1MAPTRAB9A
SCHEMBL10276122 0.78 PLAT (0.40) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10275745 0.77 CNR1 (0.41) CNR1NPC1MAPTRAB9ASMN1; 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 2 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

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 CNR1 877/4885PLAT 2180/4885NPC1 1381/4885

“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.