SCHEMBL3740263

SCHEMBL3740263

c1ccc(-c2c[nH]c3ncccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.69
CDC7 O00311 4/20 0.67
MAP4K4 O95819 4/20 0.67
CLK4 Q9HAZ1 4/20 0.67
PRKACA P17612 3/20 0.67
ROCK2 O75116 3/20 0.67
CDK2 P24941 3/20 0.67
HIPK2 Q9H2X6 3/20 0.67
IRAK4 Q9NWZ3 2/20 0.67
PIM1 P11309 2/20 0.67
GSK3B P49841 2/20 0.67
CDK8 P49336 2/20 0.60
AXL P30530 2/20 0.60
TNIK Q9UKE5 1/20 0.60
DYRK1A Q13627 5/20 0.59
JAK2 O60674 3/20 0.59
PRKD3 O94806 3/20 0.59
CLK2 P49760 3/20 0.59
JAK3 P52333 3/20 0.59
CDK5 Q00535 3/20 0.59

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
SCHEMBL858985 0.96 CAMKK2 (0.70) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL20846288 0.91 CAMKK2 (0.60) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL18418494 0.89 CDC7 (0.71) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL857678 0.87 IKBKE (0.64) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL5618155 0.86 TGFBR1 (0.71) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL859052 0.86 CAMKK2 (0.62) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL29869901 0.86 CDC7 (0.68) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL856823 0.86 CDC7 (0.68) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL858766 0.84 CAMKK2 (0.64) CAMKK2CDC7MAP4K4CLK4PRKACA
SCHEMBL5907880 0.84 CAMKK2 (0.64) CAMKK2CDC7MAP4K4CLK4PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
WO-2023168686-A1 SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2023-09-14 WO disclosed
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-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-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
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
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
EP-1771446-A2 AZAINDOLE INHIBITORS OF MTP AND APOB Merck Patent GmbH (DE) 2007-04-11 EP disclosed
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2006010423-A2 AZAINDOLE INHIBITORS OF MTP AND APOB MERCK PATENT GMBH (DE) 2006-02-02 WO disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 WO 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-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use HTR2A, HTR2C, HTR2B CAMKK2 597/4885CDC7 4350/4885MAP4K4 2491/4885
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 CAMKK2 2871/4885CDC7 2430/4885MAP4K4 3942/4885
US-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 CAMKK2 1116/4885CDC7 4496/4885MAP4K4 2372/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 CAMKK2 2871/4885CDC7 2430/4885MAP4K4 3942/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 CAMKK2 2871/4885CDC7 2430/4885MAP4K4 3942/4885
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders LCK, PDXK, CHUK CAMKK2 171/4885CDC7 864/4885MAP4K4 60/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 CAMKK2 2871/4885CDC7 2430/4885MAP4K4 3942/4885

“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.