SCHEMBL2595303

SCHEMBL2595303

Brc1cc2cccnc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
RIPK1 Q13546 13/20 0.50
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
AXL P30530 1/20 0.45
NUDT1 P36639 1/20 0.45
MAPT P10636 1/20 0.43
SNCA P37840 1/20 0.43

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
Quinoline SCHEMBL28069084 0.89 ALDH1A1 (0.57) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL15528142 0.77 DAO (0.65) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL8134947 0.76 DAO (0.46) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL745278 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL27984199 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL575029 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL27680363 0.75 DAO (0.62) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL30678374 0.75 DAO (0.62) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL1176828 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL7639694 0.75 RIPK1 (0.59) 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159423-A Synthesis method of 1H-pyrrolo [2,3-b ] pyridine-2-boronic acid pinacol ester 凯美克(上海)医药科技有限公司 2021-01-01 CN claimed
CN-110498798-A A kind of microreactor series connection synthetic method of indoles anti-tumor drug molecule UNIV FUDAN 2019-11-26 CN claimed
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-105622605-A Synthesis method of 5-bromo-7-azaindole ITIC MEDCHEM CO LTD 2016-06-01 CN claimed
US-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 US disclosed
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 US disclosed
CN-119954831-A Pyrimidopyrazoles, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-05-09 CN disclosed
CN-118344359-A RIPK1 kinase targeted inhibitor and application thereof 中国药科大学 2024-07-16 CN disclosed
WO-2024097355-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS VICINITAS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
WO-2024097355-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS VICINITAS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
CN-117126157-A Preparation method of 5-hydroxy-7-azaindole 舞阳威森生物医药有限公司 2023-11-28 CN disclosed
CN-112159423-A Synthesis method of 1H-pyrrolo [2,3-b ] pyridine-2-boronic acid pinacol ester 凯美克(上海)医药科技有限公司 2021-01-01 CN 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-1999051232-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051234-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-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 DAO 2921/4885RIPK1 3652/4885CCNB2 4212/4885
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 DAO 2921/4885RIPK1 3652/4885CCNB2 4212/4885

“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.