SCHEMBL10275937

SCHEMBL10275937

O=c1cc(-c2ccc(F)cc2F)[nH]c2nc(-c3ccc(F)cc3F)c(-c3ccc(F)cc3F)n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
KIT P10721 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 8/20 0.36
MAPK13 O15264 7/20 0.36
MAPK12 P53778 7/20 0.36

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
SCHEMBL10313660 0.91 ALDH1A1 (0.38) LDHAKITALDH1A1HPGDMEN1
SCHEMBL10313656 0.87 ALDH1A1 (0.44) LDHAKITALDH1A1HPGDMEN1
SCHEMBL10275601 0.86 MAPK13 (0.40) LDHAKITMAPK14MAPK13MAPK12
SCHEMBL10275525 0.85 LDHA (0.35) LDHAALDH1A1HPGDMEN1THRB
SCHEMBL10313659 0.85 ALDH1A1 (0.35) LDHAKITALDH1A1HPGDMEN1
SCHEMBL10275998 0.85 AR (0.39) LDHAALDH1A1HPGDMEN1THRB
SCHEMBL10275958 0.85 KDM1A (0.39) LDHAKITALDH1A1HPGDMEN1
SCHEMBL10313657 0.85 LDHA (0.34) LDHAKITALDH1A1HPGDMEN1
SCHEMBL10276174 0.84 ABCC8 (0.38) LDHAALDH1A1HPGDKDM4ELMNA
SCHEMBL10276482 0.81 KDM4E (0.39) LDHAKITALDH1A1HPGDKDM4E

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 LDHA 1392/4885KIT 2189/4885ALDH1A1 572/4885

“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.