SCHEMBL9309968

SCHEMBL9309968

O=C(O)c1ccn(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
NAPRT Q6XQN6 2/20 0.40
DAO P14920 1/20 0.40
SRD5A2 P31213 3/20 0.39
HPGDS O60760 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
TYR P14679 1/20 0.37
DRD1 P21728 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL22290905 0.82 TSHR (0.40) TSHRTP53NAPRTDAOSRD5A2
SCHEMBL3543689 0.82 TSHR (0.40) TSHRTP53NAPRTDAOSRD5A2
SCHEMBL31427488 0.79 PKM (0.34) CES2CES1AKR1B1
SCHEMBL21408507 0.77 MAOA (0.38) TSHRTP53NAPRTDAOSRD5A2
SCHEMBL4900653 0.77 BCHE (0.36) TSHRTP53NAPRTDAOSRD5A2
SCHEMBL22639055 0.73
SCHEMBL23421081 0.71
SCHEMBL1866981 0.71
SCHEMBL600724 0.71
SCHEMBL369526 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008780-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2026-01-08 US disclosed
US-12215116-B2 Arginase inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-02-04 US disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
WO-2021256861-A1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF 일동제약(주) 2021-12-23 WO disclosed
WO-2020214921-A1 SOLID FORMS OF MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-22 WO disclosed
EP-3697774-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2020-08-26 EP disclosed
WO-2019079760-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-25 WO disclosed
EP-2857403-B1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-10-10 EP disclosed
US-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 US disclosed
US-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-05 US disclosed
US-9447101-B2 Pyrrolo[2,1-f][1,2,4]triazine compound, and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-20 US disclosed
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
EP-2857403-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-04-08 EP disclosed
US-5284681-A Bringing into contact with water, drying in air SUMITOMO CHEMICAL CO., LTD. (JP) 1994-02-08 US disclosed
US-4451658-A DECARBOXYLATION WITH MINERAL ACID, ALKANOL, AND WATER ETHYL CORPORATION (US) 1984-05-29 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 (4 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-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF PIK3CA, PIP4K2B, PIK3R5 TSHR 1286/4885TP53 127/4885NAPRT 3860/4885
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PIK3CA, PIK3R5, PIP4K2B TSHR 1229/4885TP53 146/4885NAPRT 3627/4885
US-20260008780-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NOD1, NLRP3, CASP1 TSHR 3816/4885TP53 456/4885NAPRT 1027/4885
US-12215116-B2 Arginase inhibitors and methods of use ARG1, ARG2, PRMT1 TSHR 2028/4885TP53 4159/4885NAPRT 915/4885

“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.