SCHEMBL1001014

SCHEMBL1001014

Clc1cccc(C[Mg]Br)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.54
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 3/20 0.48
CYP3A4 P08684 2/20 0.48
AGXT P21549 2/20 0.48
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
CHRM2 P08172 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
AOC3 Q16853 1/20 0.43
MAOB P27338 1/20 0.41

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
SCHEMBL1004527 0.80 TAAR1 (0.57) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL11152109 0.79 TAAR1 (0.57) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL6291666 0.77 TSHR (0.42) PNMTIDO1CYP3A4HTR3EHTR3B
SCHEMBL11154355 0.76 TAAR1 (0.53) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL613603 0.76 TAAR1 (0.52) TAAR1IDO1AGXTMAOB
SCHEMBL5733314 0.75 PNMT (0.60) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL2436 0.75
SCHEMBL29353832 0.75
SCHEMBL933385 0.74 TAAR1 (0.50) TAAR1IDO1MAOB
SCHEMBL1538033 0.74 TAAR1 (0.50) TAAR1IDO1AGXTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713318-A2 SMALL MOLECULE MODULATORS OF IL-17A, METHODS OF MAKING AND METHODS OF USING THEREOF ASCLETIS PHARMA (CHINA) CO., LIMITED (HK) 2026-03-25 EP disclosed
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP disclosed
US-20250011303-A1 SMALL MOLECULE MODULATORS OF IL-17A, METHODS OF MAKING AND METHODS OF USING THEREOF ASCLETIS PHARMA (CHINA) CO., LIMITED (CN) 2025-01-09 US disclosed
WO-2024235303-A2 SMALL MOLECULE MODULATORS OF IL-17A, METHODS OF MAKING AND METHODS OF USING THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2024-11-21 WO disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-10-09 US disclosed
EP-1812004-B1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2011-06-22 EP disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
EP-2272517-A1 Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US disclosed
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 US disclosed
EP-2043655-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-04-08 EP disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2006046024-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 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 (5 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-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 PNMT 2033/4885TAAR1 1131/4885IDO1 3724/4885
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 PNMT 1966/4885TAAR1 1192/4885IDO1 3734/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PNMT 81/4885TAAR1 1412/4885IDO1 694/4885
US-20250011303-A1 SMALL MOLECULE MODULATORS OF IL-17A, METHODS OF MAKING AND METHODS OF USING THEREOF IL17A, IL15, IL23R PNMT 2835/4885TAAR1 4169/4885IDO1 1166/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 PNMT 2276/4885TAAR1 2190/4885IDO1 2774/4885

“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.