SCHEMBL501402

SCHEMBL501402

COc1nc(Cl)c(C(C)C)c(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12752494 0.78 KDM4E (0.33) ALDH1A1
SCHEMBL12828511 0.78 ALDH1A1 (0.34) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL6338057 0.77 CYP1A2 (0.38) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL1484483 0.76 ALDH1A1 (0.32) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL6336316 0.72 CYP1A2 (0.34) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL6014976 0.72 CYP1A2 (0.52) CYP1A2
SCHEMBL10268454 0.71 CYP1A2 (0.50) CYP1A2
SCHEMBL501178 0.71 CYP1A2 (0.50) CYP1A2ALDH1A1
SCHEMBL501385 0.68 MAOB (0.42) ALDH1A1SMN1; SMN2
SCHEMBL501295 0.68 CYP1A2 (0.47) CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304118-A Synthesis method of anti-AIDS drug Ai Nuowei forest 江苏艾迪药业股份有限公司 2023-12-29 CN claimed
JP-60028967-A None JP disclosed
CN-118063395-A Preparation method of anti-AIDS drug Ai Nuowei Lin Zhongjian 成都艾迪医药技术有限公司 2024-05-24 CN disclosed
CN-117304118-A Synthesis method of anti-AIDS drug Ai Nuowei forest 江苏艾迪药业股份有限公司 2023-12-29 CN 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-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 WO 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
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
JP-S6028967-A CHLOROPYRIMIDINE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI TOATSU CHEM INC 1985-02-14 JP 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 (2 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 CYP1A2 3032/4885ALDH1A1 1800/4885SMN1; SMN2 2685/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H CYP1A2 3326/4885ALDH1A1 2541/4885SMN1; SMN2 2488/4885

“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.