SCHEMBL4512261

SCHEMBL4512261

CCCNc1nc2cc3sc(NCCC)nc3cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
QPCT Q16769 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
DRD2 P14416 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4495242 0.94 RIPK1 (0.49) RIPK1NPC1RAB9AGAAMAPK1
SCHEMBL27400144 0.88 NPY1R (0.48) RIPK1NPC1RAB9AGAAMAPK1
SCHEMBL4500811 0.84 NPC1 (0.50) RIPK1NPC1RAB9AGAAMAPK1
SCHEMBL10688887 0.84 NPC1 (0.51) RIPK1NPC1RAB9AQPCTOPRK1
SCHEMBL18384865 0.82 RIPK1 (0.55) RIPK1NPC1RAB9AGAASMN1; SMN2
SCHEMBL12963415 0.82 IDO1 (0.60) RIPK1NPC1RAB9AGAAQPCT
SCHEMBL21815075 0.82 DYRK1A (0.58) RIPK1GAAMAPTTYR
SCHEMBL13074516 0.82 DYRK1A (0.57) RIPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4234770 0.81 GAA (0.48) RIPK1NPC1RAB9AGAAMAPK1
SCHEMBL6558739 0.81 DRD2 (0.54) RIPK1NPC1RAB9AGAAQPCT

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-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 RIPK1 4186/4885NPC1 93/4885RAB9A 696/4885

“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.