SCHEMBL10275525

SCHEMBL10275525

O=c1cc(-c2ccc(F)cc2F)[nH]c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3F)n12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.33
APP P05067 1/20 0.33
PDE3B Q13370 1/20 0.32

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
SCHEMBL10276482 0.96 KDM4E (0.39) LDHAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10313660 0.91 ALDH1A1 (0.38) LDHAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10313900 0.90 RAD51 (0.34) KDM4EALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL10275689 0.89 GCGR (0.38) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL10276237 0.89 KDM1A (0.37) PDE3BPDE3A
SCHEMBL10275476 0.89 ALOX5AP (0.34) KDM4ESMN1; SMN2NPSR1DHODHAPP
SCHEMBL10313656 0.87 ALDH1A1 (0.44) LDHAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10275937 0.85 LDHA (0.40) LDHAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10275998 0.84 AR (0.39) LDHAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10313657 0.84 LDHA (0.34) LDHAKDM4EALDH1A1HPGDSMN1; 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 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
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 WO 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 LDHA 1392/4885KDM4E 3483/4885ALDH1A1 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.