SCHEMBL10275680

SCHEMBL10275680

Cc1nn2c(=O)cc(-c3cnccc3C(F)(F)F)[nH]c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE2A O00408 2/20 0.37
SLC22A12 Q96S37 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SLC11A2 P49281 1/20 0.34
CACNA1B Q00975 3/20 0.34
CYP11B2 P19099 1/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10313508 0.82 PLAT (0.42) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10275482 0.81 PLAT (0.40) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10276231 0.80 CNR1 (0.41) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10275316 0.78 KIF11 (0.43) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10276122 0.75 PLAT (0.40) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10275442 0.74 ARF6 (0.41) PLATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13516176 0.73 MAPT (0.41) MAPTALDH1A1CYP11B2KDM4E
SCHEMBL10313475 0.72 ALPL (0.41) PLATALDH1A1CNR1
SCHEMBL10275518 0.72 PDE2A (0.37) NPC1MAPTRAB9APDE2ASLC22A12
SCHEMBL13515966 0.70 MAPT (0.46) PLATNPC1MAPTRAB9ASMN1; 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 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 PLAT 2180/4885NPC1 1381/4885MAPT 750/4885

“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.