SCHEMBL63525

SCHEMBL63525

Cc1ccc2[nH]ccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.47
CYP2A6 P11509 1/20 0.38
NR4A2 P43354 1/20 0.38
PARP1 P09874 1/20 0.36
ATM Q13315 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
CSNK1D P48730 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
RHEB Q15382 2/20 0.33
PRKCI P41743 2/20 0.32
AXL P30530 1/20 0.32
PIK3CD O00329 1/20 0.32
DHFR P00374 1/20 0.31

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
SCHEMBL8404367 0.77 AHR (0.40) AHRCYP2A6PARP1ATMHTR1D
SCHEMBL19948493 0.75 AHR (0.39) AHRCYP2A6NR4A2RHEBPRKCI
SCHEMBL13425079 0.74 AHR (0.38) AHRPARP1ATMGPR84HTR1D
SCHEMBL3248883 0.74 TYR (0.38) AHRPARP1ATMHTR1DHTR1B
SCHEMBL8529419 0.74 AXL (0.48) AHRNR4A2PARP1RHEBPRKCI
SCHEMBL8246801 0.74 AHR (0.38) AHRCYP2A6PARP1ATMHTR1D
SCHEMBL29415607 0.74 TYR (0.38) AHRPARP1ATMHTR1DHTR1B
SCHEMBL13442150 0.74 AHR (0.42) AHRPARP1ATMHTR1DHTR1B
SCHEMBL13065414 0.74 AHR (0.47) AHRCYP2A6NR4A2PARP1GPR84
SCHEMBL8995172 0.74 AHR (0.52) AHRCYP2A6NR4A2PARP1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727591-A1 SMARCA2 DEGRADERS AND USES THEREOF Astrazeneca AB (SE) 2026-04-22 EP disclosed
WO-2025026955-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2025-02-06 WO disclosed
WO-2024256988-A1 SMARCA2 DEGRADERS AND USES THEREOF ASTRAZENECA AB (SE) 2024-12-19 WO disclosed
CN-114040914-B Quinazolinone derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-10-22 CN disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
CN-113912609-B Preparation method of natural alkaloid tryptanthrin and derivatives thereof 江苏大学 2024-01-05 CN disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 US disclosed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US disclosed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 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 (4 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 AHR 419/4885CYP2A6 1276/4885NR4A2 354/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS AHR 2218/4885CYP2A6 3834/4885NR4A2 3870/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 AHR 122/4885CYP2A6 405/4885NR4A2 289/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS AHR 2218/4885CYP2A6 3834/4885NR4A2 3870/4885

“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.