SCHEMBL501488

SCHEMBL501488

CC(C)c1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFKB1 P19838 1/20 0.34
ESR1 P03372 1/20 0.32
CYP1A2 P05177 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
SCHEMBL20563862 0.85 GAA (0.33) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL12481269 0.78 GAA (0.36) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL12495771 0.78 ADORA2A (0.40)
SCHEMBL12481009 0.78 GAA (0.36) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL3944338 0.74 LMNA (0.35) ALDH1A1CYP1A2
SCHEMBL12480570 0.72 GAA (0.32) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL12481994 0.72 GAA (0.32) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL15333621 0.72 GAA (0.32) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL16446579 0.72 GAA (0.32) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL12480705 0.71 PTGS2 (0.31) ALDH1A1TSHRGAATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 US disclosed
EP-4056571-A1 TRICYCLIC DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-09-14 EP disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 WO disclosed
EP-2167476-B1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RES INST CHEM TECH (KR) 2015-02-25 EP disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 US disclosed
US-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 WO disclosed
EP-1159271-B1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2004-08-25 EP disclosed
US-6713486-B1 HIGH ACTIVITY AGAINST WILD-TYPE AND MUTANT HIV-1; LOW TOXICITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-03-30 US disclosed
US-6452006-B1 USED AS INTERMEDIATE IN THE SYNTHESIS OF ACTIVE COMPOUNDS WHICH ARE INHIBITORS OF HIV (HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCRIPTASE SYLACHIM (FR) 2002-09-17 US disclosed
EP-1097143-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE FINORGA SA (FR) 2001-05-09 EP disclosed
EP-0736015-B1 ANTIVIRAL 2,4-PYRIMIDINDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-03-07 EP disclosed
WO-2000003999-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE SANOFI-SYNTHELABO (FR) 2000-01-27 WO disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US disclosed
EP-0736015-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-10-09 EP disclosed
WO-1995018109-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-06 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-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H ALDH1A1 1800/4885ALOX15 1809/4885TSHR 4786/4885
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 ALDH1A1 846/4885ALOX15 20/4885TSHR 4419/4885
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C ALDH1A1 1687/4885ALOX15 2975/4885TSHR 4525/4885

“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.