SCHEMBL3079698

SCHEMBL3079698

CONc1cc(Cl)nc(SC)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.41
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.36
PPARA Q07869 6/20 0.35
PPARG P37231 5/20 0.34
RXRA P19793 3/20 0.34
RXRG P48443 3/20 0.34
PPARD Q03181 2/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
RXRB P28702 2/20 0.32

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
SCHEMBL2614898 0.79 KMT2A (0.57) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL3038360 0.78 KMT2A (0.56) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL31073526 0.78 KMT2A (0.56) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL31073527 0.78 KMT2A (0.56) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL13638236 0.78 KMT2A (0.55) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL10995605 0.77 MEN1 (0.70) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL19686555 0.76 KMT2A (0.54) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL62021 0.76 POLB (0.53) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL11371064 0.75 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL11378579 0.75 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2POLB

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 4 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
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 KMT2A 4217/4885MEN1 3664/4885GAA 2304/4885

“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.