SCHEMBL3096017

SCHEMBL3096017

N#Cc1c(N2CCC(O)C2)nc2scc(N)c2c1-c1cc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
CHUK O15111 1/20 0.36
EEF2K O00418 1/20 0.35
GAA P10253 1/20 0.35
ADORA1 P30542 3/20 0.33
KMT2A Q03164 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
ADORA2A P29274 3/20 0.33
ADRA2A P08913 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3083801 0.85 EEF2K (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3090569 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3655914 0.81 EEF2K (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3095668 0.73 ADORA1 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3088436 0.72 EEF2K (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3098350 0.71 ADORA1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3092291 0.71 EEF2K (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3099045 0.70 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3096007 0.70 ADORA1 (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3087819 0.70 EEF2K (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS TGFBR1, TGFBR2, ACVR1 NPC1 3806/4885RAB9A 3876/4885SMN1; SMN2 3690/4885

“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.