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)
SCHEMBL189124 0.74 CDK4 (0.35) KDM4EMAPTTUBB4ATUBBTUBA3C
SCHEMBL2596677 0.74
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.