SCHEMBL2598574

SCHEMBL2598574

COc1ccc2[nH]cc(CCNc3ncc(Cc4ccc5[nH]ncc5c4)c(N)n3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 5/20 0.54
HTR2A P28223 9/20 0.49
USP2 O75604 5/20 0.46
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 5/20 0.46
CYP2C9 P11712 5/20 0.46
CYP2C19 P33261 5/20 0.46
CLK4 Q9HAZ1 5/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 3/20 0.46
HIF1A Q16665 3/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MTNR1A P48039 1/20 0.45

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
SCHEMBL14840253 0.89 HTR2A (0.50) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL16494950 0.89 PAK4 (0.45) PAK4HTR2AMTNR1AMTNR1B
SCHEMBL16494132 0.87 PAK4 (0.56) PAK4HTR2A
SCHEMBL2598494 0.87 PAK4 (0.54) PAK4HTR2AUSP2CYP1A2CYP3A4
SCHEMBL16494802 0.87 PAK4 (0.54) PAK4HTR2AUSP2CYP1A2CYP3A4
SCHEMBL14839743 0.87 HTR2A (0.49) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2598611 0.87 HTR2A (0.49) HTR2AUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL17220531 0.86 HTR2A (0.49) PAK4HTR2AUSP2CYP1A2CYP3A4
SCHEMBL2598664 0.83 IP6K1 (0.47) PAK4HTR2AUSP2CYP1A2CYP3A4
SCHEMBL14850357 0.82 CYP1A2 (0.56) PAK4HTR2AUSP2CYP1A2CYP3A4

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 PAK4 2611/4885HTR2A 2961/4885USP2 4104/4885

“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.