SCHEMBL3094744

SCHEMBL3094744

Cc1nn(-c2nc(N)cc(Cl)n2)c(C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPP3 O14638 2/20 0.34
ALPL P05186 2/20 0.34
XIAP P98170 2/20 0.34
ENPP1 P22413 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MPO P05164 1/20 0.32
SLC34A1 Q06495 5/20 0.32
GLS O94925 1/20 0.31

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
SCHEMBL3093474 0.87 HTT (0.41) POLBMAPTHTTKDM4EMPO
SCHEMBL2812766 0.75 HTT (0.73) POLBMAPTHTTMEN1KMT2A
SCHEMBL3084534 0.75 HTT (0.42) HTT
SCHEMBL3097306 0.73 ADORA2A (0.44) POLBMEN1KMT2A
SCHEMBL3571457 0.66 MEN1 (0.61) POLBMAPTHTTKDM4EMEN1
SCHEMBL28996251 0.66 POLB (0.36) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL5674953 0.65 NR2E1 (0.39) HTT
SCHEMBL13430436 0.65 HTT (0.53) POLBHTTKDM4EMEN1KMT2A
SCHEMBL21568425 0.65 LMNA (0.53) POLBMAPTHTTKDM4EMEN1
SCHEMBL115697 0.64

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
EP-2121662-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2009-11-25 EP disclosed
WO-2008070661-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-06-12 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-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A POLB 956/4885MAPT 4424/4885HTT 4566/4885

“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.