SCHEMBL4876776

SCHEMBL4876776

O=C(Cl)c1ccc(Nc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
HCAR3 P49019 1/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
PIM1 P11309 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
FLT3 P36888 1/20 0.46
PIM3 Q86V86 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL4872174 0.85 HCAR3 (0.63) NPC1RAB9AHCAR3PKMSMN1; SMN2
SCHEMBL10837371 0.83 ROCK1 (0.59) NPC1RAB9AHCAR3PKMMEN1
SCHEMBL30828593 0.82 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21725113 0.81 AURKA (0.49) MAPK10AURKB
SCHEMBL6093171 0.81 NPC1 (0.68) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL4872285 0.79 KMT2A (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4868695 0.78 MPL (0.49)
SCHEMBL2485887 0.77 KMT2A (0.55) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL21258999 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL29850051 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAMEN1

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-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 WO 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-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R NPC1 4382/4885RAB9A 2219/4885HCAR3 1278/4885

“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.