SCHEMBL5056973

SCHEMBL5056973

Cc1cccc(-c2[c]cccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
NISCH Q9Y2I1 1/20 0.40
GRM5 P41594 1/20 0.40
RAB9A P51151 2/20 0.40
MAPK14 Q16539 1/20 0.39
KMO O15229 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL5539865 0.79 NISCH (0.37) ACHENISCHRAB9ANPC1HPGD
SCHEMBL16719513 0.79 HSD17B1 (0.47)
SCHEMBL1968839 0.79 NOTUM (0.42) GRM5RAB9AKMONPC1TSHR
SCHEMBL7497622 0.79 CYP17A1 (0.42) ACHEBCHENISCHGRM5KMO
SCHEMBL1969041 0.78 DYRK1A (0.60) NISCHGRM5RAB9ANPC1SMN1; SMN2
SCHEMBL1202054 0.77 NOTUM (0.37) NISCHRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL1967493 0.76 LOXL2 (0.43)
SCHEMBL9955444 0.75 NISCH (0.40) ACHEBCHENISCHGRM5RAB9A
SCHEMBL1965066 0.75 CLK4 (0.60) GRM5NOTUM
SCHEMBL28413182 0.75 GRIN2B (0.40) RAB9ANPC1

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-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 CN disclosed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 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 (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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL ACHE 3866/4885BCHE 2027/4885NISCH 2378/4885

“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.