SCHEMBL28899

SCHEMBL28899

SCc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2D6 P10635 2/20 0.54
TDP1 Q9NUW8 2/20 0.52
ACP3 P15309 1/20 0.50
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL131470 0.87 HPRT1 (0.58) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL1127610 0.87 CYP2C19 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL2879124 0.84 IDO1 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL2845831 0.84 IDO1 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL128331 0.81 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL17756341 0.80 IDO1 (0.41) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL131805 0.79 IDO1 (0.41) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL599659 0.79 CYP2C19 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL29490353 0.79 CYP2C19 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL3047898 0.79 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP claimed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US claimed
EP-0659746-B1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1998-05-06 EP claimed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US claimed
US-5550244-A Process for preparing sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-08-27 US claimed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO claimed
EP-0659746-A1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1995-06-28 EP claimed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 US claimed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US claimed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP claimed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 EP claimed
EP-4663693-A1 METHOD FOR DECOMPOSING COMPOUND National Institute Of Advanced Industrial Science and Technology (JP) 2025-12-17 EP disclosed
US-20250250229-A1 ARYLTHIO DERIVATIVES WITH PHARMACOLOGICAL ACTIVITY IRIDEA S.R.L. (IT) 2025-08-07 US disclosed
WO-2024166919-A1 METHOD FOR DECOMPOSING COMPOUND 国立研究開発法人産業技術総合研究所 2024-08-15 WO disclosed
CN-115504896-B Acrylic formate compound for LED photopolymerization, preparation method and application thereof 湖北固润科技股份有限公司 2024-05-07 CN disclosed
EP-0014455-A2 Cyclopropane(thiol)carboxylic-acid esters, processes for their preparation, pesticides containing such compounds and the use of such compounds as pesticides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-08-20 EP disclosed
US-4167613-A UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1979-09-11 US disclosed
US-3969414-A Naphthylmethyl sulfonium compounds THE DOW CHEMICAL COMPANY (US) 1976-07-13 US disclosed
US-3943159-A Process for the production of telomers containing isocyanate groups BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 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-20250250229-A1 ARYLTHIO DERIVATIVES WITH PHARMACOLOGICAL ACTIVITY FPR1, FPR3, FPR2 CYP1A2 2006/4885CYP2C19 1384/4885CYP2C9 1572/4885

“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.