SCHEMBL3789967

SCHEMBL3789967

Cc1cc(-c2ccccn2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
LMNA P02545 4/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
PKM P14618 8/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
NPC1 O15118 8/20 0.47
TP53 P04637 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL10161093 0.78 HTT (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4046101 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30455909 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2160804 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL26527466 0.77 CA12 (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23559395 0.76 GRM5 (0.40) LMNACYP1A2PKMALDH1A1HSD17B10
SCHEMBL354043 0.74 RAB9A (0.61) KDM4ELMNACYP1A2ALDH1A1NPC1
Dipyridyl SCHEMBL28760321 0.73 KDM4E (0.88) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27651116 0.73 KDM4E (0.88) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.73 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-2398782-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US 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 (6 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 KDM4E 3081/4885LMNA 340/4885CCR1 284/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885LMNA 4270/4885CCR1 389/4885
US-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT KDM4E 1872/4885LMNA 4362/4885CCR1 4566/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885LMNA 4270/4885CCR1 389/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 KDM4E 4039/4885LMNA 1087/4885CCR1 4780/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885LMNA 4270/4885CCR1 389/4885

“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.