SCHEMBL3547186

SCHEMBL3547186

Cc1cc2ncc(N)c(N)c2s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.38
▸ UHRF1 Q96T88 1/20 0.36
▸ KIT P10721 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30

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
SCHEMBL30598845 0.77 SELE (0.33) NOS1SMN1; SMN2
SCHEMBL29565259 0.73 NCF1 (0.38) NOS1KITPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29565017 0.72 NCF1 (0.37) NOS1KITPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29564560 0.72 NCF1 (0.37) NOS1KITPIK3CDPIK3CAPIK3CB
SCHEMBL30808060 0.71 IKBKB (0.53) NOS1KITPI4KAPI4KB
SCHEMBL18312205 0.71 IKBKB (0.53) NOS1KITPI4KAPI4KB
SCHEMBL10771693 0.69 IKBKB (0.45) NOS1UHRF1SMN1; SMN2
SCHEMBL14257473 0.66 LRRK2 (0.35) GRIN3BGRIN1GRIN2C
SCHEMBL14871305 0.65 KIT (0.44) KIT
SCHEMBL31637623 0.65 BACE1 (0.43) NOS1BACE1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019214546-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 (CN) 2019-11-14 — — WO disclosed
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 — — US disclosed
US-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 — — 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-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same IL4, IL5, IRAK4 NOS1 594/4885UHRF1 2870/4885KIT 1041/4885

“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.

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