SCHEMBL3318957

SCHEMBL3318957

CCCCCc1c(O)nc2ncnn2c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ENPP1 P22413 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL5593563 0.99 HTT (0.47) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL10493808 0.88 HSD17B10 (0.50) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL10493810 0.87 HSD17B10 (0.49) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL9770175 0.87 HSD17B10 (0.49) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL5232567 0.80 MAPT (0.44) HTTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9770335 0.76 HSD17B10 (0.56) HTTSMN1; SMN2HSD17B10L3MBTL1ALDH1A1
SCHEMBL5197330 0.75 MEN1 (0.55) HTTSMN1; SMN2GAAHSD17B10L3MBTL1
SCHEMBL8944106 0.73 GAA (0.45) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL8944199 0.73 GAA (0.45) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL12769185 0.73 HSD17B10 (0.52) HTTSMN1; SMN2HSD17B10L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087640-A1 Method for production of aryl-substituted annelated pyrimidines BASF SE (DE) 2010-04-08 — — US disclosed
EP-2111404-A1 METHOD FOR PRODUCTION OF ARYL-SUBSTITUTED ANNELATED PYRIMIDINES BASF SE (DE) 2009-10-28 — — EP disclosed
WO-2008084082-A1 METHOD FOR PRODUCTION OF ARYL-SUBSTITUTED ANNELATED PYRIMIDINES BASF SE (DE) 2008-07-17 — — 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-20100087640-A1 Method for production of aryl-substituted annelated pyrimidines AOC3, CBR3, AOC2 HTT 1420/4885SMN1; SMN2 2142/4885GAA 2242/4885

“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.

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