SCHEMBL14839726

SCHEMBL14839726

Nc1nc(NCCc2c[nH]c3ccc(F)cc23)ncc1Cc1ccc2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 11/20 0.47
NOTUM Q6P988 2/20 0.43
SLC6A4 P31645 4/20 0.42
HTR2A P28223 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HTR1A P08908 2/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SNCA P37840 3/20 0.41
PAK4 O96013 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL16494994 0.94 HTR2A (0.41) MPONOTUMHTR2AHTR1ASNCA
SCHEMBL16495045 0.91 HTR1A (0.40) HTR2AHTR1A
SCHEMBL16494871 0.90 HTR1A (0.42) HTR2AHTR1A
SCHEMBL14839993 0.89 HTR2A (0.42) SLC6A4HTR2AHTR1AMTNR1AMTNR1B
SCHEMBL16494650 0.89 HTR1A (0.39) MPOHTR2AHTR1AKMT2A
SCHEMBL16494836 0.87 SNCA (0.42) HTR2AHTR1AKMT2ASNCA
SCHEMBL14840253 0.87 HTR2A (0.50) HTR2AKMT2AMTNR1AMTNR1B
SCHEMBL16494972 0.87 ALDH1A1 (0.41) HTR2AHTR1AKMT2A
SCHEMBL16494684 0.87 HTR1A (0.43) HTR2AHTR1A
SCHEMBL16494481 0.87 HTR1A (0.47) MPOHTR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP claimed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US claimed
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP 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-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP MPO 4160/4885NOTUM 4344/4885SLC6A4 3089/4885

“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.