SCHEMBL109282

SCHEMBL109282

N#Cc1c(Cl)cccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 4/20 0.55
NOTUM Q6P988 1/20 0.55
MRGPRX4 Q96LA9 2/20 0.51
PBRM1 Q86U86 1/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL28846634 0.82 TSHR (0.59) TSHRALDH1A1NOTUMMRGPRX4PBRM1
SCHEMBL7979358 0.82 AKR1C3 (0.47) TSHRALDH1A1NOTUMMRGPRX4GAA
SCHEMBL400760 0.79 NR4A2 (0.48) TSHRALDH1A1NOTUMMEN1KMT2A
SCHEMBL28363838 0.79 CYP1A2 (0.52) TSHRALDH1A1NOTUMMRGPRX4GAA
SCHEMBL4851536 0.78 ALDH1A1 (0.44) TSHRALDH1A1NOTUMMRGPRX4GAA
SCHEMBL27752895 0.78 ALDH1A1 (0.54) TSHRALDH1A1NOTUMMRGPRX4ALOX15
SCHEMBL16960857 0.78 KDM4E (0.44) TSHRALDH1A1NOTUMMRGPRX4GAA
SCHEMBL30961765 0.77 ALB (0.55) TSHRALDH1A1NOTUMMRGPRX4ALOX15
SCHEMBL1352723 0.77 KDM4E (0.55) TSHRALDH1A1NOTUMMRGPRX4ALOX15
SCHEMBL28331532 0.77 ALB (0.55) TSHRALDH1A1NOTUMMRGPRX4ALOX15

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 31 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
EP-3131876-B1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-11-07 EP 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
CN-106536515-A Compounds useful as immunomodulators 百时美施贵宝公司 2017-03-22 CN disclosed
EP-3131876-A2 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2017-02-22 EP disclosed
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
WO-2015160641-A2 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 WO disclosed
WO-2015160641-A2 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 WO 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
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
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
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 (1 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 2388/4885ALDH1A1 1967/4885NOTUM 4701/4885

“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.