SCHEMBL3093474

SCHEMBL3093474

Cc1nn(-c2nc(N)cc(Cl)n2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
MPO P05164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3094744 0.87 POLB (0.44) HTTPOLBMAPTMPOKDM4E
SCHEMBL2812766 0.75 HTT (0.73) HTTPOLBMAPTSMN1; SMN2LMNA
SCHEMBL3084534 0.75 HTT (0.42) HTTSMN1; SMN2
SCHEMBL12914053 0.73 RAB9A (0.48) HTTMAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL5674953 0.65 NR2E1 (0.39) HTT
SCHEMBL13430436 0.65 HTT (0.53) HTTPOLBKDM4ESMN1; SMN2RAB9A
SCHEMBL115697 0.64
SCHEMBL14961174 0.63 MEN1 (0.44) CA12CA1CA2CA9POLB
SCHEMBL10143602 0.63 HRH4 (0.54) HTTPOLBKDM4ELMNAHSD17B10
SCHEMBL20075227 0.63 SLC34A1 (0.42)

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 HTT 4566/4885CA12 4754/4885CA1 3964/4885

“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.