SCHEMBL6307171

SCHEMBL6307171

CSc1nc(N)nc(CN2CCN(C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPN1 P18031 1/20 0.49
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
HRH4 Q9H3N8 7/20 0.42
HSP90AB1 P08238 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
HTR6 P50406 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6314302 0.82 HSP90AA1 (0.41) GAASMN1; SMN2HSP90AA1ALDH1A1HSP90AB1
SCHEMBL6308323 0.79 ALDH1A1 (0.45) GAAALDH1A1MAPK1
SCHEMBL6314269 0.76 L3MBTL1 (0.44) GAASMN1; SMN2PTPN1HSP90AA1ALDH1A1
SCHEMBL6307060 0.76 ALDH1A1 (0.64) GAASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL6307905 0.76 CYBB (0.58) GAASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL6310022 0.75 ALDH1A1 (0.50) GAASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL6310015 0.75 ALDH1A1 (0.50) GAASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL26032241 0.67 GAA (0.44) GAASMN1; SMN2PTPN1ALDH1A1NPC1
SCHEMBL21530421 0.67 SMN1; SMN2 (1.00) GAASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3631158 0.66 HSP90AB1 (0.71) GAAHSP90AA1HSP90AB1LMNA

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-6919339-B2 ABCA-1 elevating compounds CV THEAPEUTICS, INC. (US) 2005-07-19 US disclosed
EP-1341773-A2 SUBSTITUTED 1,3,5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-09-10 EP disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 US disclosed
WO-2002046172-A2 SUBSTITUTED 1, 3, 5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 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-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 GAA 1143/4885SMN1; SMN2 4558/4885PTPN1 4240/4885

“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.