SCHEMBL3559919

SCHEMBL3559919

Cc1ccnc(C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
NTRK1 P04629 5/20 0.39
PIM1 P11309 5/20 0.39
ACVR1 Q04771 3/20 0.39
GAA P10253 2/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NOS3 P29474 2/20 0.37
NOS2 P35228 2/20 0.37

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
SCHEMBL30751791 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1LMNAPOLB
SCHEMBL27158634 0.83 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2NPC1LMNAPOLB
SCHEMBL15691383 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1LMNAPOLB
SCHEMBL15680079 0.80 ROCK2 (0.39) ALDH1A1SMN1; SMN2LMNARECQLNTRK1
SCHEMBL1261198 0.78 NOS2 (0.54) ALDH1A1SMN1; SMN2NPC1LMNAPOLB
SCHEMBL3828718 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1LMNAPOLB
SCHEMBL1698600 0.78 NTRK1 (0.42) ALDH1A1LMNAPOLBHPGDRAB9A
SCHEMBL677194 0.78 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2NPC1LMNAPOLB
SCHEMBL1721807 0.78 PSMD14 (0.40) ALDH1A1SMN1; SMN2NPC1LMNAPOLB
SCHEMBL15691414 0.78 NTRK1 (0.37) ALDH1A1SMN1; SMN2LMNAPOLBHPGD

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240392220-A1 BRANDY REPLICAS AVA FOOD LABS, INC. 2024-11-28 US disclosed
WO-2023179542-A1 5,8-DIHYDRO-1,7-NAPHTHYRIDINE DERIVATIVES AS GLP-1 AGONISTS FOR THE TREATMENT OF DIABETES GASHERBRUM BIO , INC. (US) 2023-09-28 WO disclosed
WO-2023172858-A1 A PROCESS FOR PREPARING 4-METHYL-2-PROPAN-2-YL-PYRIDINE-3-CARBONITRILE AMGEN INC. (US) 2023-09-14 WO disclosed
WO-2023086799-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
US-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-05-11 US disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP disclosed
CN-109890388-A MAChR M4Positive allosteric modulators 范德比尔特大学 2019-06-14 CN disclosed
CN-109863139-A Muscarinic acetylcholine receptor M4Positive allosteric modulators of 范德比尔特大学 2019-06-07 CN disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US disclosed
EP-1458392-A4 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-08 EP disclosed
EP-1458392-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 WO disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 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 (4 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-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A ALDH1A1 633/4885SMN1; SMN2 2097/4885NPC1 2787/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 ALDH1A1 499/4885SMN1; SMN2 1961/4885NPC1 1670/4885
US-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN1B, CACNA1A ALDH1A1 1317/4885SMN1; SMN2 551/4885NPC1 1440/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 ALDH1A1 499/4885SMN1; SMN2 1961/4885NPC1 1670/4885

“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.