SCHEMBL2598700

SCHEMBL2598700

COc1ccc2[nH]c(C)c(CCNc3nc(C)c(Cc4ccc5[nH]ccc5c4)c(N)n3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.46
HTR1D P28221 2/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
MAPT P10636 11/20 0.44
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1E P28566 1/20 0.42
HTR5A P47898 1/20 0.42
LMNA P02545 4/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41

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 0.87 HTR2A (0.49) HTR6HTR1DMTNR1AMTNR1BMAPT
SCHEMBL12185517 0.80 MAPT (0.47) HTR6HTR1DMTNR1AMTNR1BMAPT
SCHEMBL2598724 0.78 NMT1 (0.41) TDP1LMNACNR2
SCHEMBL16494931 0.76 PTK6 (0.35) MEN1KMT2AALDH1A1POLBCNR2
SCHEMBL2598494 0.76 PAK4 (0.54) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL2598579 0.76 HTR2A (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14840253 0.73 HTR2A (0.50) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL12520505 0.72 CYP1A2 (0.51) HTR6HTR1DMTNR1AMTNR1BMAPT
SCHEMBL16494844 0.71 PTK6 (0.37)
SCHEMBL2598664 0.71 IP6K1 (0.47) HTR6MTNR1AMTNR1BMEN1KMT2A

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-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
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 HTR6 3310/4885HTR1D 1179/4885MTNR1A 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.