SCHEMBL4499710

SCHEMBL4499710

CC(C)Nc1nc2cc3sc(NC(C)C)nc3cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.47
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATAD2 Q6PL18 1/20 0.38

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
SCHEMBL18058957 0.82 NPC1 (0.59) MAPK14NPC1RAB9ALMNAHTT
SCHEMBL10118915 0.81 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL21154465 0.81 DYRK1A (0.60) MAPK14NPC1RAB9ALMNAHTT
SCHEMBL1621946 0.81 RAB9A (0.60) MAPK14NPC1RAB9AHTTMAPT
SCHEMBL12368479 0.81 NPC1 (0.64) MAPK14NPC1RAB9ALMNAHTT
SCHEMBL23510530 0.81 SMN1; SMN2 (0.56) MAPK14NPC1RAB9AMAPTGAA
SCHEMBL19840342 0.81 NPC1 (0.59) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2271723 0.79 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL11989036 0.79 IDO1 (0.59) MAPK14NPC1RAB9ALMNAMAPT
SCHEMBL22600051 0.78 ATAD2 (0.65) NPC1RAB9ALMNAHTTMAPT

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 MAPK14 2765/4885MAPK13 2666/4885MAPK12 1085/4885

“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.