SCHEMBL38097

SCHEMBL38097

[C]1=CCCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.32
CES1 P23141 1/20 0.30

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
SCHEMBL676391 0.86 TSHR (0.44) TSHRHTR2C
SCHEMBL9620894 0.85 TSHR (0.48) TSHR
SCHEMBL29246 0.75
SCHEMBL2504099 0.74 MEN1 (0.36)
SCHEMBL9621216 0.74 TSHR (0.31) TSHR
SCHEMBL19617147 0.70 HTR2A (0.38) HTR2C
SCHEMBL327799 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL8912020 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL31251596 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL11095966 0.69 TSHR (0.43) TSHRHTR2CCES1

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 1209 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345917-B1 ANTIPROTOZOAL COMPOUNDS BACOBA AG (CH) 2021-11-17 EP claimed
CN-111499566-A Pyridine derivative compound and preparation method thereof 南京工业大学 2020-08-07 CN claimed
CN-108290863-B Substituted aminotriazoles useful as human chitinase inhibitors 昂科艾伦迪治疗法公司 2020-05-05 CN claimed
CN-109942497-A Polysubstituted pyrimidone compound and preparation method thereof 南京工业大学 2019-06-28 CN claimed
CN-109280063-A Organo-metallic compound and organic luminescent device including it 三星显示有限公司 2019-01-29 CN claimed
US-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US claimed
EP-3356364-A1 NEW PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS DUAL DYRK1/CLK1 INHIBITORS Les Laboratoires Servier (FR) 2018-08-08 EP claimed
EP-3345917-A1 ANTIPROTOZOAL COMPOUNDS Bacoba AG (CH) 2018-07-11 EP claimed
CN-108137582-A novel pyrrolo [2,3-d ] pyrimidine derivatives as dual DYRK1/C L K1 inhibitors 法国施维雅药厂 2018-06-08 CN claimed
EP-2855435-B1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES INC (US) 2018-04-11 EP claimed
EP-1034167-A1 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-13 EP claimed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US claimed
US-5981537-A USEFUL IN THE TREATMENT OF INDIVIDUALS WHO ARE HIV POSITIVE PHARMACIA & UPJOHN COMPANY (US) 1999-11-09 US claimed
WO-1999019304-A9 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS UPJOHN CO (US) 1999-07-08 WO claimed
WO-1999019304-A2 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-04-22 WO claimed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP claimed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO claimed
EP-0728130-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-28 EP claimed
WO-1995013267-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS THE UPJOHN COMPANY (US) 1995-05-18 WO claimed
US-4657581-A AMIDE COMPOUNDS, OF DI OR TETRAHYDRO-1 NAPHTHOIC ACID SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1987-04-14 US claimed

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-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPYD, TYMS, TYMP TSHR 2357/4885HTR2C 1510/4885CES1 1814/4885

“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.