SCHEMBL416435

SCHEMBL416435

Cc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY5R Q15761 2/20 0.43
HPGDS O60760 1/20 0.43
PIN1 Q13526 1/20 0.43
SCN2A Q99250 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
BTK Q06187 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL416642 0.96 POLB (0.56) POLBL3MBTL1NPC1RAB9AGAA
SCHEMBL419538 0.83 DHODH (0.45) POLBL3MBTL1NPC1RAB9AMAPK13
SCHEMBL384952 0.83 NPC1 (0.61) POLBL3MBTL1NPC1RAB9AGAA
SCHEMBL417139 0.82 NISCH (0.45) POLBL3MBTL1NPC1RAB9AGAA
SCHEMBL24317555 0.80 NPC1 (0.59) POLBL3MBTL1NPC1RAB9AGAA
SCHEMBL420012 0.80 MGAM (0.43) POLBL3MBTL1NPC1RAB9AGAA
SCHEMBL416478 0.79 NR1I3 (0.50) L3MBTL1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL417398 0.79 DHODH (0.47) POLBL3MBTL1NPC1MAPTHPGD
SCHEMBL7119605 0.78 RPS6KA3 (0.45) POLBL3MBTL1NPC1RAB9AGAA
SCHEMBL823787 0.78 MAPK13 (0.43) POLBL3MBTL1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
EP-4097285-B1 SUBSTITUTED THIOL MELT ADDITIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-06-26 EP disclosed
US-11873389-B2 Composition and molded article AKITA UNIVERSITY (JP) 2024-01-16 US disclosed
US-20230357535-A1 CROSSLINKABLE ELASTOMER COMPOSITION AND FLUORORUBBER MOLDED ARTICLE DAIKIN INDUSTRIES, LTD. (JP) 2023-11-09 US disclosed
WO-2023210818-A1 COMPOSITION INCLUDING FLUORORUBBER ダイキン工業株式会社 2023-11-02 WO disclosed
WO-2023195485-A1 COMPOSITION AND CROSSLINKED PRODUCT ダイキン工業株式会社 2023-10-12 WO disclosed
US-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2023189547-A1 COMPOSITION, CROSSLINKED PRODUCT, AND SEALING MATERIAL ダイキン工業株式会社 2023-10-05 WO disclosed
EP-4253432-A1 FLUOROPOLYMER, AQUEOUS LIQUID DISPERSION, COMPOSITION, AND CROSSLINKED PRODUCT DAIKIN INDUSTRIES, LTD. (JP) 2023-10-04 EP disclosed
US-20070197513-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-20070197513-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-20070197619-A1 Ion Channel Modulators WYETH 2007-08-23 US disclosed
US-20070197619-A1 Ion Channel Modulators WYETH 2007-08-23 US disclosed
US-20070191448-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-16 US disclosed
US-20070191448-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-16 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2005097112-A2 ION CHANNEL MODULATORS WYETH (US) 2005-10-20 WO disclosed
EP-0329357-A1 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1989-08-23 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 (7 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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 POLB 1354/4885L3MBTL1 3930/4885NPC1 4135/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 POLB 380/4885L3MBTL1 2178/4885NPC1 3/4885
US-20070197619-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 POLB 4663/4885L3MBTL1 3558/4885NPC1 325/4885
US-20070191448-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 POLB 4663/4885L3MBTL1 3558/4885NPC1 325/4885
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 POLB 4824/4885L3MBTL1 2408/4885NPC1 3435/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 POLB 4824/4885L3MBTL1 2408/4885NPC1 3435/4885
US-20070197513-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 POLB 4663/4885L3MBTL1 3558/4885NPC1 325/4885

“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.