SCHEMBL2461967

SCHEMBL2461967

N#Cc1ccc2[nH]ccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.43
IMPDH1 P20839 2/20 0.43
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
P2RX7 Q99572 1/20 0.39
AHR P35869 2/20 0.38
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
NR4A2 P43354 1/20 0.38
MCL1 Q07820 1/20 0.37
RHEB Q15382 3/20 0.37
DYRK1A Q13627 2/20 0.36
AR P10275 2/20 0.36
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL4414444 0.78 IMPDH2 (0.44) IMPDH2IMPDH1AURKATPX2AHR
SCHEMBL3709074 0.77 IMPDH2 (0.43) IMPDH2IMPDH1AURKATPX2AHR
SCHEMBL18552475 0.77 IMPDH2 (0.43) IMPDH2IMPDH1AURKATPX2AHR
SCHEMBL5780953 0.77 PRKCQ (0.46) IMPDH2IMPDH1PRKCQPRKCD
SCHEMBL2432305 0.73 AR (0.43) IMPDH2IMPDH1ARPRKCQPRKCD
SCHEMBL31416308 0.73 RHEB (0.50) P2RX7AHRF7LTA4HF3
SCHEMBL830446 0.73 RHEB (0.50) P2RX7AHRF7LTA4HF3
SCHEMBL30309353 0.72 IMPDH2 (0.57) IMPDH2IMPDH1AHRMCL1RHEB
SCHEMBL403956 0.72 IMPDH2 (0.57) IMPDH2IMPDH1AHRMCL1RHEB
SCHEMBL1484655 0.72 RHEB (0.46) IMPDH2IMPDH1AURKATPX2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299457-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2022-04-12 US disclosed
US-20200270210-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED 2020-08-27 US disclosed
US-10710963-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-07-14 US disclosed
US-20190127326-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-05-02 US disclosed
US-10196353-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2019-02-05 US disclosed
US-20170073309-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-16 US disclosed
US-9533948-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-03 US disclosed
EP-2875013-A1 INDOLECARBONITRILES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2015-05-27 EP disclosed
US-20150080449-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-03-19 US disclosed
US-8957104-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2015-02-17 US disclosed
WO-2014013309-A1 INDOLECARBONITRILES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-01-23 WO disclosed
US-20140024694-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property (No.2) Limit ed (GB) 2014-01-23 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
EP-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 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 (11 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-20090264482-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-20200270210-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-10710963-B2 Chemical compounds AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-20140024694-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-11299457-B2 Chemical compounds AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-20150080449-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-10196353-B2 Chemical compounds AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 IMPDH2 1830/4885IMPDH1 1196/4885AURKA 1124/4885
US-20190127326-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885
US-20170073309-A1 Chemical Compounds AR, NR5A1, ESRRA IMPDH2 3005/4885IMPDH1 3323/4885AURKA 1185/4885

“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.