SCHEMBL4263752

SCHEMBL4263752

Cc1nc(NC2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.53
CARM1 Q86X55 2/20 0.50
PRMT6 Q96LA8 2/20 0.50
CCNT1 O60563 1/20 0.44
RIPK2 O43353 1/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA2A P08913 1/20 0.40
PIM1 P11309 9/20 0.40
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
PIM2 Q9P1W9 5/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PIM3 Q86V86 1/20 0.38
FLT3 P36888 1/20 0.37

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
SCHEMBL4263749 1.00 MCHR1 (0.53) MCHR1CARM1PRMT6CCNT1RIPK2
SCHEMBL6877502 0.85 MCHR1 (0.59) MCHR1CARM1PRMT6RIPK2ALDH1A1
SCHEMBL6877508 0.85 MCHR1 (0.59) MCHR1CARM1PRMT6RIPK2ALDH1A1
SCHEMBL4271810 0.84 CARM1 (0.50) MCHR1CARM1PRMT6CCNT1RIPK2
SCHEMBL4264985 0.83 LMNA (0.50) MCHR1CARM1PRMT6CCNT1BCHE
SCHEMBL4264983 0.83 LMNA (0.50) MCHR1CARM1PRMT6CCNT1BCHE
SCHEMBL4260567 0.82 CARM1 (0.45) MCHR1CARM1PRMT6CCNT1ALDH1A1
SCHEMBL4260562 0.82 CARM1 (0.45) MCHR1CARM1PRMT6CCNT1ALDH1A1
Trifluoroacetic Acid SCHEMBL4262316 0.80 MCHR1 (0.40) MCHR1CARM1PRMT6ADRA2A
SCHEMBL4260890 0.80 ALDH1A1 (0.52) MCHR1ALDH1A1

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 MCHR1 3/4885CARM1 1492/4885PRMT6 549/4885

“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.