SCHEMBL6902852

SCHEMBL6902852

S=C=Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
PLAU P00749 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
APAF1 O14727 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL9579908 0.89 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL503314 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL5801527 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUGABRA1
SCHEMBL7913558 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL558038 0.74 GABRP (0.40) ADRA2AADRA2BADRA2CPLAUGABRA1
SCHEMBL1880838 0.72 GABRP (0.37) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL1826488 0.72 ALDH1A1 (0.40) L3MBTL1GABRA1GABRB2GABRPGABRD
SCHEMBL29696296 0.72 APLNR (0.42) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL1868513 0.72 APLNR (0.42) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6730549 0.71

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694243-B 2-substituted pyridinyl-1,2,4-triazolo [1,2-a] pyridazine compound CHINA AGRICULTURAL UNIVERSITY (CN) 2015-09-09 CN disclosed
CN-103694243-A 2-substituted pyridyl-1,2,4-triazol [1,2-a] pyridazine compound UNIV CHINA AGRICULTURAL 2014-04-02 CN disclosed
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
US-4565826-A HYPOTENSIVE, CARDIONASCULAR, ANTIULCER, ANTISECRETORY, GASTROINTESTINAL DISORDERS WILLIAM H. RORER, INC. (US) 1986-01-21 US disclosed
EP-0078839-A4 HETEROCYCLIC AMIDINOUREAS. RORER INTERNAT OVERSEAS INC (US) 1984-07-25 EP disclosed
US-4436911-A HYPOTENSIVE, ANTISPASMODIC, ANTIULCER, ANTIPARASITIC WILLIAM H. RORER, INC. (US) 1984-03-13 US disclosed
EP-0078839-A1 HETEROCYCLIC AMIDINOUREAS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-05-18 EP disclosed
WO-1982004047-A1 HETEROCYCLIC AMIDINOUREAS RORER INT OVERSEAS (US) 1982-11-25 WO disclosed
US-3984549-A FUNGICIDES MERCK & CO., INC. (US) 1976-10-05 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E ADRA2A 4837/4885ADRA2B 4756/4885ADRA2C 4703/4885

“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.