SCHEMBL10313655

SCHEMBL10313655

[C-]#[N+]c1ccc(-c2c(-c3ccc(C)cc3)nc3[nH]c(-c4ccc(F)cc4F)cc(=O)n23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
KDM1A O60341 7/20 0.34
DHODH Q02127 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
AR P10275 1/20 0.32
LDHA P00338 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL10313659 0.91 ALDH1A1 (0.35) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10313657 0.91 LDHA (0.34) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10313658 0.90 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10313656 0.88 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10313660 0.82 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10313668 0.81 MAPK14 (0.32) DHODHPGRNR3C2TGFBR1
SCHEMBL10313670 0.81 MAPK14 (0.34) DHODHTGFBR1
SCHEMBL10313666 0.79 KDM1A (0.37) ALDH1A1HPGDKDM1ASMN1; SMN2KDM4E
SCHEMBL10313667 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL10275525 0.77 LDHA (0.35) MEN1KMT2AALDH1A1HPGDTHRB

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 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 MEN1 4229/4885KMT2A 4649/4885ALDH1A1 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.