SCHEMBL382109

SCHEMBL382109

N#Cc1ccc(-c2cncc(N)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.59
CYP11B1 P15538 2/20 0.59
IRAK4 Q9NWZ3 4/20 0.50
KCNH2 Q12809 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
XDH P47989 1/20 0.48
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
MAP4K4 O95819 3/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
RIPK1 Q13546 1/20 0.44
MMP3 P08254 1/20 0.44
EGLN2 Q96KS0 1/20 0.42

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
SCHEMBL30337602 0.84 CYP11B1 (0.55) CYP11B2CYP11B1IRAK4MAP4K4
SCHEMBL21044264 0.81 CYP11B2 (0.57) CYP11B2CYP11B1IRAK4KCNH2SCN10A
SCHEMBL30725703 0.81 CYP11B2 (0.57) CYP11B2CYP11B1IRAK4KCNH2SCN10A
SCHEMBL31226302 0.78 MMP3 (0.59) CYP11B2CYP11B1KCNH2SCN10AXDH
SCHEMBL2141480 0.78 MMP3 (0.59) CYP11B2CYP11B1KCNH2SCN10AXDH
SCHEMBL9413215 0.77 LOXL2 (0.53) CYP11B2CYP11B1KCNH2SCN10AXDH
SCHEMBL3364850 0.77 EGLN2 (0.47) CYP11B2CYP11B1IRAK4KCNH2EGLN2
SCHEMBL2642286 0.76
SCHEMBL29919144 0.76
SCHEMBL1006683 0.75 MMP3 (0.58) CYP11B2MAP4K4MMP3EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 EP disclosed
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 EP disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 EP disclosed
CN-102428084-B Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2016-05-18 CN disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed
CN-102428084-A Compounds MEDICAL RES COUNCIL TECHNOLOGY 2012-04-25 CN disclosed
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 CYP11B2 322/4885CYP11B1 306/4885IRAK4 3750/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 CYP11B2 317/4885CYP11B1 305/4885IRAK4 3764/4885
US-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP CYP11B2 205/4885CYP11B1 175/4885IRAK4 2983/4885

“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.