SCHEMBL10275958

SCHEMBL10275958

N#Cc1ccc(-c2c(-c3ccc(F)cc3F)nc3[nH]c(-c4ccc(F)cc4F)cc(=O)n23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
AR P10275 1/20 0.39
NSD2 O96028 1/20 0.38
ADORA1 P30542 2/20 0.36
GCGR P47871 2/20 0.36
MAPK14 Q16539 2/20 0.36
ADORA2A P29274 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
LDHA P00338 1/20 0.34
KCNH2 Q12809 1/20 0.34
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 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
SCHEMBL10275998 0.92 AR (0.39) KDM1AARNSD2ADORA1GCGR
SCHEMBL10276237 0.90 KDM1A (0.37) KDM1AARNSD2ADORA1GCGR
SCHEMBL10276567 0.90 GCGR (0.38) KDM1AARNSD2ADORA1GCGR
SCHEMBL10275735 0.89 MDM2 (0.40) KDM1AARALDH1A1HPGDMEN1
SCHEMBL10275664 0.89 ADORA1 (0.40) KDM1AARNSD2ADORA1GCGR
SCHEMBL12826486 0.87 KDM1A (0.37) KDM1AARNSD2ADORA1GCGR
SCHEMBL10275937 0.85 LDHA (0.40) MAPK14ALDH1A1HPGDMEN1THRB
SCHEMBL10313659 0.84 ALDH1A1 (0.35) MAPK14PDE3BPDE3AALDH1A1HPGD
SCHEMBL10275689 0.82 GCGR (0.38) KDM1AARADORA1GCGRMAPK14
SCHEMBL10313660 0.82 ALDH1A1 (0.38) MAPK14PDE3BPDE3AALDH1A1HPGD

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 KDM1A 3996/4885AR 3221/4885NSD2 3880/4885

“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.