SCHEMBL4510083

SCHEMBL4510083

CNc1nc2cc3nc(NC)sc3cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.52
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
PKM P14618 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LDHA P00338 1/20 0.51
GAA P10253 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX12 P18054 2/20 0.39
MAPK1 P28482 2/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 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
SCHEMBL4501668 0.93 LDHA (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20181125 0.89 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27396359 0.84 LDHA (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21766276 0.82 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4511805 0.81 POLB (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28884815 0.79 QPCT (0.48) NPC1RAB9ASMN1; SMN2MAPTLDHA
SCHEMBL4505156 0.79 HTT (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11459519 0.79 LDHA (0.47) NPC1RAB9ASMN1; SMN2LDHAGAA
SCHEMBL11850147 0.78 DYRK1A (0.64) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL13151088 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US claimed
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 NPC1 93/4885RAB9A 696/4885SMN1; SMN2 251/4885

“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.