SCHEMBL2936768

SCHEMBL2936768

Nc1ccc(SSc2ccc(N)cc2Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.63
ITGB2 P05107 2/20 0.61
ICAM1 P05362 2/20 0.61
ITGAL P20701 2/20 0.61
CYP3A4 P08684 5/20 0.56
TSHR P16473 3/20 0.56
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 2/20 0.43
THRB P10828 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL20565390 0.89 PDE7A (0.69) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL7187676 0.85 ITGB2 (0.80) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL8087222 0.83 PDE7A (0.61) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL3249437 0.81 PDE7A (0.59) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL3020630 0.81 PDE7A (0.59) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL30388287 0.80 CYP3A4 (0.56) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL15072465 0.80 CYP3A4 (0.56) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL29700437 0.78 PDE7A (0.55) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL7187848 0.78 PDE7A (1.00) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL7610324 0.78 ITGB2 (0.96) PDE7AITGB2ICAM1ITGALCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
CN-103623867-A Composite catalyst for selective chlorination of aromatic compounds and application thereof UNIV SOUTHEAST 2014-03-12 CN disclosed
CN-101240119-B Carbon black reacted with diazonium salts and products CABOT CORP 2011-05-11 CN disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1225205-B1 Carbon black reacted with diazonium salts and products CABOT CORP (US) 2010-10-06 EP disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
EP-1942156-B1 Carbon black reacted with diazonium salts and products CABOT CORP (US) 2010-04-14 EP disclosed
CN-101240119-A Carbon black reacted with diazonium salts and products CABOT CORP (US) 2008-08-13 CN disclosed
CN-1175270-A Carbon black reacted with diazonium salts and products CABOT CORP (US) 1998-03-04 CN disclosed
EP-0799281-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1997-10-08 EP disclosed
WO-1996018688-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1996-06-20 WO disclosed
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 US disclosed
US-3940371-A HYDROLYTIC AND CHEMICAL STABILITY CASE LESLIE C 1976-02-24 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 PDE7A 1092/4885ITGB2 3675/4885ICAM1 888/4885

“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.