SCHEMBL4872174

SCHEMBL4872174

O=C(O)c1ccc(Nc2ccccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.63
AURKA O14965 4/20 0.61
AURKB Q96GD4 3/20 0.61
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
CSNK2A1 P68400 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
PIM1 P11309 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
FLT3 P36888 1/20 0.51
PIM3 Q86V86 1/20 0.51
ATM Q13315 1/20 0.50
DHODH Q02127 1/20 0.50

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
SCHEMBL10108522 0.85 NPC1 (0.53) HCAR3AURKAAURKBNPC1RAB9A
SCHEMBL4876776 0.85 NPC1 (0.53) HCAR3AURKBNPC1RAB9ASMN1; SMN2
SCHEMBL10837371 0.85 ROCK1 (0.59) HCAR3AURKAAURKBNPC1RAB9A
SCHEMBL30828593 0.83 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13685582 0.82
SCHEMBL7105114 0.82 NPC1 (0.63) HCAR3AURKAAURKBNPC1RAB9A
SCHEMBL6093171 0.82 NPC1 (0.68) AURKANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30073949 0.82 NPC1 (0.63) HCAR3AURKAAURKBNPC1RAB9A
SCHEMBL29582475 0.81 MEN1 (0.64) HCAR3AURKAAURKBNPC1RAB9A
SCHEMBL626575 0.81 MEN1 (0.64) HCAR3AURKAAURKBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102180942-A Preparation method of moguisteine intermediate 17 beta-hydroxyl-4 alpha, 5 alpha-epoxy androstane (2,3-d) isoxazole TIANJIN KILO PHARMACEUTICAL SCI TECH CO LTD 2011-09-14 CN disclosed
US-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO 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
US-4610991-A Antihypertensive pyridylaminobenzamide compounds STERLING DRUG INC. (US) 1986-09-09 US disclosed
EP-0098951-A2 Aminobenzamide derivatives and preparation thereof STERLING DRUG INC. (US) 1984-01-25 EP 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 HCAR3 1278/4885AURKA 4299/4885AURKB 2497/4885

“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.