SCHEMBL2598783

SCHEMBL2598783

Nc1ncc(CCc2c[nH]c3ccccc23)c(NCc2ccc3[nH]ccc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.45
MC5R P33032 3/20 0.45
MC1R Q01726 3/20 0.45
MC3R P41968 1/20 0.45
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
KDR P35968 2/20 0.40
PRKCQ Q04759 1/20 0.40
GSK3B P49841 1/20 0.39
PDGFRB P09619 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL16495018 0.92 HTR6 (0.42) IP6K1MC5RMC1RMC3RHTR6
SCHEMBL16494608 0.92 IP6K1 (0.45) IP6K1MC5RMC1RMC3RHTR1A
SCHEMBL2598711 0.86 MC5R (0.43) IP6K1MC5RMC1RMC3RHTR1A
SCHEMBL2598672 0.85 MC5R (0.46) IP6K1MC5RMC1RMC3RHTR1A
SCHEMBL16494883 0.85 KDR (0.44) KDRPRKCQPDGFRBF2
SCHEMBL12520549 0.84 KDR (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL16495081 0.83 MC5R (0.40) IP6K1MC5RMC1RMC3RHTR1A
SCHEMBL16494209 0.83 MAPT (0.41) KDRPRKCQPDGFRB
SCHEMBL2598614 0.82 MC5R (0.41) IP6K1MC5RMC1RMC3RHTR1A
SCHEMBL2598704 0.82 PRKCQ (0.39) KDRPRKCQGSK3BPDGFRBF2

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 9 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-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP 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 IP6K1 2672/4885MC5R 3315/4885MC1R 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.