SCHEMBL107554

SCHEMBL107554

NNC(=O)c1ccncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 1.00
GRM4 Q14833 3/20 0.54
KDM4E B2RXH2 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C19 P33261 1/20 0.53
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
FAAH O00519 1/20 0.41
ABL1 P00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL31627592 1.00 P2RX7 (1.00) P2RX7GRM4KDM4EMPOCYP1A2
SCHEMBL28525840 0.84 P2RX7 (0.71) P2RX7GRM4KDM4EMPOCYP1A2
SCHEMBL37633 0.82 P2RX7 (0.69) P2RX7GRM4ADORA3GSK3AGSK3B
SCHEMBL5160553 0.81 P2RX7 (0.68) P2RX7GRM4KDM4EMPOCYP1A2
SCHEMBL3650483 0.80 P2RX7 (0.67) P2RX7GRM4GSK3AGSK3BFAAH
SCHEMBL17844425 0.79 P2RX7 (0.66) P2RX7GRM4KDM4EFAAHGAA
SCHEMBL13729260 0.79 P2RX7 (0.66) P2RX7GRM4HTTKMT2A
SCHEMBL13726856 0.78 GRM4 (0.66) P2RX7GRM4KDM4ECYP3A4GAA
Hydrochloric Acid SCHEMBL30402220 0.78 P2RX7 (0.65) P2RX7GRM4GSK3AGSK3BFAAH
SCHEMBL30822602 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835442-B2 3-substituted 7-imino-2-thioxo-3, 7-dihydro-2H-thiazolo [4,5-di pyrimidin-6-yl—and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-09-16 US claimed
EP-2501706-B1 A NOVEL 3-SUBSTITUTED 7-IMINO-2-THIOXO-3, 7-DIHYDRO-2H-THIAZOLO [4,5-DI PYRIMIDIN-6-YL - AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-08-06 EP claimed
WO-2011061754-A9 A NOVEL 3-SUBSTITUTED 7-IMINO-2-THIOXO-3, 7-DIHYDRO-2H-THIAZOLO [4,5-DI PYRIMIDIN-6-YL - AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-07-05 WO claimed
US-12325702-B2 ATF6 inhibitors and uses thereof ALTOS LABS, INC. (US) 2025-06-10 US disclosed
CN-119060036-A ATF6 inhibitors and uses thereof 阿尔托斯实验室公司 2024-12-03 CN disclosed
CN-112313224-B ATF6 inhibitors and uses thereof 阿尔托斯实验室公司 2024-08-13 CN disclosed
EP-4126869-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS HOFFMANN LA ROCHE (CH) 2024-06-05 EP disclosed
US-20240124434-A1 ATF6 INHIBITORS AND USES THEREOF ALTOS LABS, INC. 2024-04-18 US disclosed
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
CN-117580831-A GRK2 inhibitors and uses thereof 索纳塔治疗公司 2024-02-20 CN disclosed
CN-1984907-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-06-20 CN disclosed
CN-1894241-A \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2007-01-10 CN disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (5 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-20240124434-A1 ATF6 INHIBITORS AND USES THEREOF ATF4, XBP1, ATF1 P2RX7 3653/4885GRM4 2985/4885KDM4E 4305/4885
US-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 P2RX7 1324/4885GRM4 3906/4885KDM4E 3749/4885
US-12325702-B2 ATF6 inhibitors and uses thereof ATF4, XBP1, ATF1 P2RX7 3653/4885GRM4 2985/4885KDM4E 4305/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 P2RX7 256/4885GRM4 7/4885KDM4E 2792/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 P2RX7 376/4885GRM4 12/4885KDM4E 3036/4885

“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.