SCHEMBL575029

SCHEMBL575029

Ic1cc2cccnc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
RIPK1 Q13546 15/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
AXL P30530 1/20 0.45
NUDT1 P36639 1/20 0.45

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
SCHEMBL21226786 0.77 DAO (0.65) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL27984199 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL30678374 0.75 DAO (0.62) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL7639694 0.75 RIPK1 (0.59) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL27680363 0.75 DAO (0.62) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL745278 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL1176828 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL2595303 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL12333 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL20098707 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107043395-A A kind of synthetic method of azaindole substituted boracic acid class compound 江苏常州酞青新材料科技有限公司 2017-08-15 CN claimed
CN-115551841-A Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor 爱杜西亚药品有限公司 2022-12-30 CN disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed
CN-107043395-A A kind of synthetic method of azaindole substituted boracic acid class compound 江苏常州酞青新材料科技有限公司 2017-08-15 CN disclosed
CN-103153980-B Derivatives of pyrazolophenylbenzenesulfonamide compounds and their use as antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-12-16 CN disclosed
US-6077847-A ADMINISTERING A SUBSTITUTED INDOLE COMPOUND TO THE PATIENTS FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. (US) 2000-06-20 US disclosed
US-6025366-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-02-15 US disclosed
US-5998432-A SEXUAL DISORDERS MERCK & CO., INC. (US) 1999-12-07 US disclosed
US-5985892-A USEFUL FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN; PREVENTING PREGNANCY; TREATING LUPUS ERYTHEMATOSIS, IRRITABLE BOWEL SYNDROME, PREMENSTRUAL SYNDROME, HIRSUTISM, SHORT STATURE OR A MERCK & CO., LTD. (US) 1999-11-16 US disclosed
WO-1999051234-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051232-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051233-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051596-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051231-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051595-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 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 (2 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT DAO 1775/4885RIPK1 3312/4885CCNB2 882/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT DAO 2202/4885RIPK1 3202/4885CCNB2 881/4885

“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.