SCHEMBL443607

SCHEMBL443607

Cn1ccc2c[c]ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.44
▸ CYP2A6 P11509 2/20 0.40
▸ PIK3CB P42338 1/20 0.36
▸ NQO2 P16083 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 1/20 0.30
▸ TUBA3E Q6PEY2 1/20 0.30
▸ TUBA1A Q71U36 1/20 0.30

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
SCHEMBL686703 0.83 CYP2A6 (0.40) PRKCICYP2A6PIK3CBNQO2HSD11B1
SCHEMBL18422387 0.76 — —
SCHEMBL16719574 0.75 — —
SCHEMBL694594 0.75 CDK4 (0.41) —
SCHEMBL2596677 0.74 — —
SCHEMBL189124 0.74 CDK4 (0.35) KDM4EMAPTTUBB4ATUBBTUBA3C
SCHEMBL15926117 0.73 PRKCI (0.42) PRKCICYP2A6PIK3CBNQO2HSD11B1
SCHEMBL16720352 0.73 MAPT (0.31) MAPT
SCHEMBL5814894 0.72 CDK4 (0.44) KDM4EALDH1A1MAPT
SCHEMBL16720241 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 — — US claimed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 — — US claimed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 — — US claimed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 — — US claimed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 — — US claimed
CN-116554104-A Indenone and indazolone derivatives with antioxidant activity, and synthetic method and application thereof 西南大学 2023-08-08 — — CN claimed
CN-116283961-A 4- (3, 4, 5-trimethoxyphenyl) -imidazo [4,5-c ] pyridine compound and application thereof 广东晨康生物科技有限公司 2023-06-23 — — CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 — — EP claimed
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 — — CN claimed
WO-1999045022-A1 20-KETO-11β-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 1999-09-10 — — WO claimed
EP-0856001-A1 PYRIMIDINE DERIVATIVES AS 5HT 2C?-RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 — — EP claimed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 — — WO claimed
US-5753663-A 5HT2C ANTAGONIST, USEFUL FOR TREATING ANXIETY, PAIN, OBSESSIVE COMPULSIVE DISORDER, ALCOHOLISM, DEPRESSION, MIGRAINE, SLEEP DISORDER, ANOREXIA NERVOSA AND PRIAPISM SYNTEX (U.S.A.) INC. (US) 1998-05-19 — — US claimed
EP-0828724-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-03-18 — — EP claimed
US-5691374-A ENZYME INHIBITORS OF CYCLOOXYGENASE AS ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1997-11-25 — — US claimed
EP-0799218-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-08 — — EP claimed
WO-1997012880-A1 PYRIMIDINE DERIVATIVES AS 5HT2C-RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 1997-04-10 — — WO claimed
WO-1996036623-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-21 — — WO claimed
WO-1996019469-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-06-27 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 PRKCI 122/4885CYP2A6 1127/4885PIK3CB 2116/4885
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 PRKCI 2163/4885CYP2A6 756/4885PIK3CB 1593/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 PRKCI 60/4885CYP2A6 4559/4885PIK3CB 5/4885
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite PLK1, HSP90B1, CEP170 PRKCI 3408/4885CYP2A6 3092/4885PIK3CB 790/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PRKCI 4424/4885CYP2A6 131/4885PIK3CB 2584/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 PRKCI 1092/4885CYP2A6 3834/4885PIK3CB 289/4885

“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.

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