Sugi Predict

Sugi Predict / Compounds / SCHEMBL3461907

SCHEMBL3461907

SCHEMBL3461907

Cc1nccnc1C(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.55
▸ KDM4E B2RXH2 7/20 0.41
▸ MPO P05164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL13169723 0.84 P2RX7 (0.56) P2RX7KDM4EMPOCYP1A2CYP3A4
SCHEMBL8569871 0.81 KDM4E (0.40) P2RX7KDM4ECYP1A2CYP3A4GAA
SCHEMBL15995000 0.80 P2RX7 (0.40) P2RX7KDM4EL3MBTL1TDP1PRKCI
SCHEMBL27595047 0.79 KDM4E (0.39) P2RX7KDM4EGAAL3MBTL1PRKCI
SCHEMBL7326128 0.77 PRKCI (0.58) P2RX7KDM4EPRKCI
SCHEMBL28119884 0.77 P2RX7 (0.48) P2RX7KDM4EMPOCYP1A2CYP3A4
SCHEMBL24993346 0.76 P2RX7 (0.44) P2RX7KDM4EMPOCYP1A2CYP3A4
SCHEMBL1463944 0.76 MKNK1 (0.42) P2RX7KDM4EADORA3TDP1PRKCI
SCHEMBL2310300 0.76 MKNK1 (0.42) P2RX7KDM4EADORA3TDP1PRKCI
SCHEMBL31589622 0.75 P2RX7 (0.47) P2RX7KDM4EMPOCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS UNIVERSIDADE FEDERAL DO RIO DE JANEIRO – UFRJ (BR) 2024-10-10 — — US disclosed
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 — — WO disclosed
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist BEIGENE, LTD. (KY) 2022-10-18 — — US disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 — — CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 — — US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 — — US disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 — — US disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 — — US disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 — — CN disclosed
EP-3774813-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BeiGene, Ltd. (KY) 2021-02-17 — — EP disclosed
CN-112313234-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-02-02 — — CN disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 — — WO disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 — — WO disclosed
WO-2019196803-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2019-10-17 — — WO disclosed
WO-2019196803-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2019-10-17 — — WO disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 — — US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 — — US 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B P2RX7 9/4885KDM4E 3946/4885MPO 4455/4885
US-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS SCN1A, SCN7A, SCN8A P2RX7 160/4885KDM4E 2030/4885MPO 606/4885
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B P2RX7 11/4885KDM4E 3983/4885MPO 4200/4885
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 P2RX7 947/4885KDM4E 1532/4885MPO 4220/4885
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist ADORA2A, ADORA3, ADORA2B P2RX7 11/4885KDM4E 3983/4885MPO 4200/4885

“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.