SCHEMBL4666728

SCHEMBL4666728

Cc1cn(-c2ccc(Br)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP19A1 P11511 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
NLRP3 Q96P20 1/20 0.54
CYP2E1 P05181 1/20 0.51
CYP2A6 P11509 1/20 0.51
GAA P10253 1/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 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
SCHEMBL27985278 0.89 CYP1A2 (0.65) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2285981 0.83 CYP1A2 (0.59) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL19272800 0.80 CYP1A2 (0.56) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL4668245 0.80 CYP1A2 (0.56) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL264998 0.80 CYP1A2 (0.56) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL12988609 0.80 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL18754697 0.80 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL27380980 0.79 NPC1 (0.58) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2283022 0.79 CYP2E1 (0.65) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL21412170 0.78 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747244-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Limited (GB) 2026-05-27 EP disclosed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
US-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2025-04-17 US disclosed
WO-2025017306-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2025-01-23 WO disclosed
EP-4466071-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) Redx Pharma Limited (GB) 2024-11-27 EP disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
CN-118632845-A Modulators of Rho-associated protein kinase (ROCK) 莱德克斯制药有限公司 2024-09-10 CN disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 WO disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 WO disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
CN-108948369-B Porous coordination polymer, preparation method and application thereof 南京工业大学 2021-02-12 CN disclosed
CN-107406426-A Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2017-11-28 CN disclosed
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 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 (3 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 CYP3A4 1860/4885CYP1A2 970/4885CYP2D6 1105/4885
US-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA CYP3A4 4414/4885CYP1A2 2949/4885CYP2D6 4482/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 CYP3A4 2906/4885CYP1A2 2440/4885CYP2D6 3603/4885

“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.