SCHEMBL2598830

SCHEMBL2598830

COCCOc1ccc2[nH]cc(CCNc3ncc(Cc4ccc5[nH]ccc5c4)c(N)n3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
HTR1B P28222 3/20 0.42
HTR1D P28221 2/20 0.42
HTR2A P28223 3/20 0.41
IP6K1 Q92551 3/20 0.41
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 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
SCHEMBL16494507 0.98 SLC6A4 (0.43) HTR1AHTR1BHTR1DHTR2AIP6K1
SCHEMBL14840253 0.92 HTR2A (0.50) HTR2AMTNR1AMTNR1BUSP2CYP1A2
SCHEMBL2598634 0.91 HTR2A (0.41) HTR1AHTR1BHTR1DHTR2ALTA4H
SCHEMBL16494583 0.89 LMNA (0.43) HTR1AHTR1BHTR1DHTR2ALTA4H
SCHEMBL14839743 0.88 HTR2A (0.49) HTR2AMTNR1AMTNR1BUSP2CYP1A2
SCHEMBL2598763 0.87 TRPM8 (0.51) HTR1AHTR1BHTR1DLTA4HPLA2G2A
SCHEMBL16494205 0.87 CYP1A2 (0.43) HTR1AHTR1BHTR1DHTR2AIP6K1
SCHEMBL16494340 0.86 TRPM8 (0.47) HTR2ALTA4HPLA2G2AUSP2CYP1A2
SCHEMBL2598670 0.86 TRPV1 (0.41) HTR1AHTR1BHTR1DHTR2ALTA4H
SCHEMBL2598664 0.86 IP6K1 (0.47) HTR2AIP6K1MTNR1AMTNR1BUSP2

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-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US 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
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 HTR1A 2521/4885HTR1B 2168/4885HTR1D 1179/4885

“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.