SCHEMBL3836508

SCHEMBL3836508

O=C(O)C(=O)c1cnc2ccccn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
EPHB3 P54753 1/20 0.54
ADORA2A P29274 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KIT P10721 2/20 0.45
DDR2 Q16832 2/20 0.45
DDR1 Q08345 1/20 0.45
HAT1 O14929 2/20 0.44
EP300 Q09472 2/20 0.44
HDAC4 P56524 1/20 0.44
SLC27A1 Q6PCB7 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GGPS1 O95749 1/20 0.42

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
SCHEMBL496758 0.86 NPC1 (0.60) NPC1RAB9AEPHB3ADORA2ANPSR1
Hydrochloric Acid SCHEMBL21834227 0.84 NPC1 (0.59) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL11266749 0.81 NPC1 (0.78) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL1027478 0.81 NPC1 (0.52) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL3549382 0.81 NPC1 (0.59) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL2017759 0.81 NPC1 (0.59) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL14743372 0.81 NPC1 (0.63) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL28564762 0.80 NPC1 (0.51) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL28912172 0.80 NPC1 (0.58) NPC1RAB9AEPHB3ADORA2ANPSR1
Hydrochloric Acid SCHEMBL14746375 0.79 NPC1 (0.61) NPC1RAB9AEPHB3ADORA2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014091386-A2 AN IMPROVED PROCESS FOR PREPARATION OF MINODRONIC ACID ALEMBIC PHARMACEUTICALS LIMITED (IN) 2014-06-19 WO disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 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 (3 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 NPC1 2000/4885RAB9A 3399/4885EPHB3 1036/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 NPC1 2000/4885RAB9A 3399/4885EPHB3 1036/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 NPC1 2414/4885RAB9A 1957/4885EPHB3 1785/4885

“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.