SCHEMBL2598672

SCHEMBL2598672

Nc1nc(NCc2ccc3[nH]ccc3c2)ncc1CCc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46
IP6K1 Q92551 3/20 0.44
HTR1A P08908 4/20 0.41
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
HTR7 P34969 4/20 0.41
HTR6 P50406 4/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDR P35968 1/20 0.40
PRKCQ Q04759 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL16495336 0.92 HTR6 (0.43) MC5RMC3RMC1RIP6K1HTR1A
SCHEMBL16494245 0.92 MC5R (0.46) MC5RMC3RMC1RIP6K1HTR1A
SCHEMBL2598783 0.85 IP6K1 (0.45) MC5RMC3RMC1RIP6K1HTR1A
SCHEMBL16494879 0.84 KDR (0.39) KDRPRKCQ
SCHEMBL16495175 0.84 HTR1A (0.49) HTR1AHTR2A
SCHEMBL16495026 0.83 EIF2AK2 (0.41) MC5RMC3RMC1RIP6K1HTR1A
SCHEMBL16494338 0.83 MAPT (0.42) HDAC3HDAC1HDAC2HDAC6PRKCQ
SCHEMBL16494785 0.82 HTR2C (0.42) MC5RMC3RMC1RIP6K1HTR1A
SCHEMBL2598749 0.82 PRKCQ (0.40) PIM1PIM3PIM2HDAC1KDR
SCHEMBL16494541 0.81 HTR1A (0.52) HTR1AHTR2AHTR7

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 11 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-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2013-03-27 EP claimed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP claimed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 WO 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-2571867-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2013-03-27 EP disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 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-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP MC5R 3315/4885MC3R 4287/4885MC1R 3631/4885

“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.