SCHEMBL21420134

SCHEMBL21420134

O=Nc1c(-c2c[nH]c3ccccc23)[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 11/20 0.54
▸ CDK5R1 Q15078 11/20 0.54
▸ GSK3A P49840 11/20 0.54
▸ GSK3B P49841 11/20 0.54
▸ CDK1 P06493 9/20 0.54
▸ CCNB2 O95067 8/20 0.54
▸ CCNB1 P14635 8/20 0.54
▸ CCNB3 Q8WWL7 8/20 0.54
▸ AURKB Q96GD4 5/20 0.54
▸ AURKC Q9UQB9 5/20 0.54
▸ ALOX5 P09917 5/20 0.54
▸ AURKA O14965 3/20 0.54
▸ CDK4 P11802 2/20 0.54
▸ CCND1 P24385 2/20 0.54
▸ CCNE1 P24864 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ FLT3 P36888 2/20 0.54
▸ SGK1 O00141 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54

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
SCHEMBL4064946 0.75 CDK5 (0.60) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL24487476 0.74 AHR (0.52) CDK1CCNB2CCNB1CCNB3CDK4
SCHEMBL22457398 0.73 AHR (0.56) GSK3BCDK1CCNB2CCNB1CCNB3
SCHEMBL1202543 0.73 IMPDH2 (0.63) CDK1CCNB2CCNB1CCNB3CDK4
SCHEMBL22443303 0.72 PDE10A (0.55) CDK1CCNB2CCNB1CCNB3CDK4
Indirubin-3-Monoxime SCHEMBL29354191 0.70 CDK5R1 (1.00) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL18117823 0.70 GSK3B (0.50) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL11174102 0.69 AHR (0.55) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL29924508 0.69 GSK3B (0.72) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL7363256 0.69 HPGD (0.48) CDK1CCNB2CCNB1CCNB3CDK4

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
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 — — US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 — — US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 — — 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 (3 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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 CDK5 4473/4885CDK5R1 4302/4885GSK3A 3016/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 CDK5 4473/4885CDK5R1 4302/4885GSK3A 3016/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 CDK5 4473/4885CDK5R1 4302/4885GSK3A 3016/4885

“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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