SCHEMBL109089

SCHEMBL109089

CCOC(=O)c1cccc(Cl)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
KDM4E B2RXH2 7/20 0.49
GLA P06280 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPT P10636 3/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KMT2A Q03164 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
BRAF P15056 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
CDC25B P30305 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9236279 0.89 TSHR (0.63) TSHRKDM4EGLAATMALDH1A1
SCHEMBL7870053 0.83 TSHR (0.56) TSHRKDM4EGLAATMALDH1A1
SCHEMBL400760 0.83 NR4A2 (0.48) TSHRKDM4EATMALDH1A1HSD17B10
SCHEMBL110117 0.80 ALDH1A1 (0.60) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL2601348 0.79 TSHR (0.63) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL11418791 0.79 TSHR (0.63) TSHRKDM4EATMALDH1A1HSD17B10
SCHEMBL406428 0.79 TSHR (0.74) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4625495 0.78 TSHR (0.61) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL668608 0.76 TSHR (0.59) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL5749832 0.76 TSHR (0.59) TSHRKDM4EALDH1A1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536515-B Compound as immunomodulator 百时美施贵宝公司 2019-08-16 CN disclosed
CN-105705489-B Compound as immunomodulator 百时美施贵宝公司 2019-04-26 CN disclosed
EP-3131876-B1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-11-07 EP disclosed
US-9872852-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-23 US disclosed
US-9850225-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
US-9850225-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
EP-3041822-B1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
EP-3131876-A2 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2017-02-22 EP disclosed
EP-3041822-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2016-07-13 EP disclosed
US-20160194307-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-07-07 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP 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-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action RB1, AURKA, AURKC TSHR 2388/4885KDM4E 428/4885GLA 3625/4885
US-20160194307-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HAVCR2, CD4 TSHR 3814/4885KDM4E 4256/4885GLA 1131/4885
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 TSHR 536/4885KDM4E 4459/4885GLA 4004/4885

“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.