SCHEMBL3860074

SCHEMBL3860074

Cc1cc(-c2ccncc2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
NPC1 O15118 2/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ALK Q9UM73 1/20 0.62
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
PDE10A Q9Y233 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GSK3B P49841 3/20 0.44
MAPT P10636 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL2766145 0.81 RAB9A (0.71) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL427627 0.81 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL3464137 0.79 L3MBTL1 (0.56) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL1160360 0.78 NPC1 (0.67) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL14097585 0.78 L3MBTL1 (0.92) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL792992 0.78 NPC1 (1.00) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL2360295 0.78 NPC1 (0.67) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL17183457 0.78 L3MBTL1 (0.66) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL15908507 0.78 NPC1 (0.67) L3MBTL1NPC1RAB9ASMN1; SMN2ALK
SCHEMBL3051778 0.77 NPC1 (0.61) L3MBTL1NPC1RAB9ASMN1; SMN2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2023004280-A1 SELECTIVE PYRAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-01-26 WO disclosed
WO-2023004280-A1 SELECTIVE PYRAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-01-26 WO disclosed
US-20200255434-A1 INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2020-08-13 US disclosed
WO-2020114212-A1 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2020-06-11 WO disclosed
WO-2012000519-A1 ARYL- AND HETEROARYLAMID DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-05 WO disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
WO-1993001184-A1 IMIDAZOLES INHIBITORS AS ACAT AND THROMBOXANE TXA2 RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
EP-0522887-A1 Imidazoles as ACAT- and thromboxane TxA2 inhibitors RHONE-POULENC RORER LIMITED (GB) 1993-01-13 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 (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-20200255434-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 L3MBTL1 757/4885NPC1 4016/4885RAB9A 2357/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP L3MBTL1 186/4885NPC1 232/4885RAB9A 752/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 L3MBTL1 1589/4885NPC1 635/4885RAB9A 4163/4885

“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.