SCHEMBL2598494

SCHEMBL2598494

COc1ccc2[nH]cc(CCNc3nc(C)c(Cc4ccc5[nH]ncc5c4)c(N)n3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 6/20 0.54
HTR2A P28223 10/20 0.48
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
USP2 O75604 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2598597 0.89 HTR2A (0.49) HTR2AMTNR1AMTNR1BUSP2CYP1A2
SCHEMBL2598574 0.87 PAK4 (0.54) PAK4HTR2AMTNR1AMTNR1BUSP2
SCHEMBL16494802 0.80 PAK4 (0.54) PAK4HTR2AMTNR1AUSP2CYP1A2
SCHEMBL12185857 0.80 PAK4 (0.56) PAK4HTR2AUSP2CYP1A2CYP3A4
SCHEMBL16494950 0.77 PAK4 (0.45) PAK4HTR2AMTNR1AMTNR1B
SCHEMBL2598579 0.77 HTR2A (0.49) PAK4HTR2AUSP2CYP1A2CYP3A4
SCHEMBL14850357 0.77 CYP1A2 (0.56) PAK4HTR2AUSP2CYP1A2CYP3A4
SCHEMBL14840253 0.76 HTR2A (0.50) HTR2AMTNR1AMTNR1BUSP2CYP1A2
SCHEMBL2598700 0.76 HTR6 (0.46) HTR2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL14839743 0.74 HTR2A (0.49) HTR2AMTNR1AMTNR1BUSP2CYP1A2

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 10 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
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-8927500-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-01-06 US 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
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 PAK4 2611/4885HTR2A 2961/4885MTNR1A 3619/4885

“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.