SCHEMBL1202005

SCHEMBL1202005

N#Cc1cccc2cnccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.49
DYRK1A Q13627 6/20 0.46
CLK1 P49759 4/20 0.46
CLK2 P49760 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
DYRK1B Q9Y463 3/20 0.46
CLK3 P49761 2/20 0.46
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL28304074 0.98 HTT (0.96) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7015267 0.85 HTT (0.73) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL21917157 0.81 HTT (0.68) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL2006905 0.81 HTT (0.68) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL1716135 0.76 HTT (0.60) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL1551634 0.76 HTT (0.61) HTTKDM4ENCOA3DYRK1ACLK1
SCHEMBL31588148 0.76 HTT (0.61) HTTKDM4ENCOA3DYRK1ACLK1
SCHEMBL59702 0.74 CA1 (0.69) HTTCYP1A2CYP3A4KDM4EDYRK1A
SCHEMBL27600515 0.74 HTT (0.59) HTTKDM4ENCOA3DYRK1ACDK5
Hydrochloric Acid SCHEMBL11816471 0.74 HTT (0.59) HTTKDM4ENCOA3DYRK1ACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO claimed
US-5296046-A Carrier solvent, sublimable oxide removing agent, compound that liberates nitrogen MOTOROLA, INC. (US) 1994-03-22 US claimed
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN disclosed
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
WO-2024235225-A1 SUBSTITUTED PYRIMIDINE-FUSED RING INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2024-11-21 WO disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 CN disclosed
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
CN-108602811-A FXR receptor stimulating agents 山东轩竹医药科技有限公司 2018-09-28 CN disclosed
WO-1994027969-A1 ISOQUINOLINETRIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1994-12-08 WO disclosed
US-5296046-A Carrier solvent, sublimable oxide removing agent, compound that liberates nitrogen MOTOROLA, INC. (US) 1994-03-22 US disclosed
US-5296046-A Carrier solvent, sublimable oxide removing agent, compound that liberates nitrogen MOTOROLA, INC. (US) 1994-03-22 US disclosed
US-4396619-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382932-A Isoquinolinium substituted cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 US disclosed
US-4189323-A Radiation-sensitive copying composition HOECHST AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4031106-A Synthesis of aromatic amines by reaction of aromatic compounds with ammonia E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-21 US disclosed
US-4001260-A NICKEL-NICKEL OXIDE-ZIRCONIUM OXIDE AMINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 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 (1 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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD HTT 2553/4885LMNA 627/4885CYP1A2 2421/4885

“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.