SCHEMBL4034133

SCHEMBL4034133

Nc1ccc(Sc2nccs2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.54
PDE7A Q13946 2/20 0.51
ITGB2 P05107 2/20 0.50
ICAM1 P05362 2/20 0.50
ITGAL P20701 2/20 0.50
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDK1 Q15118 1/20 0.40
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.35
THRB P10828 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
SCHEMBL4030271 0.76 PDE7A (0.60) FBP1PDE7AALDH1A1NPSR1MAPT
SCHEMBL7187676 0.75 ITGB2 (0.80) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL4029446 0.73 PDE7A (0.58) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL5564912 0.73 FBP1 (0.71) FBP1ALDH1A1PDK1CYP3A4TSHR
SCHEMBL8308899 0.71 PDE7A (0.58) FBP1PDE7AITGB2ICAM1ITGAL
SCHEMBL28177930 0.71 FBP1 (0.59) FBP1ALDH1A1PDK1KMT2A
SCHEMBL720839 0.70 PDE7A (0.73) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL2977936 0.70 PDE7A (0.59) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL28387217 0.70 FBP1 (1.00) FBP1ITGB2ICAM1ITGALPDK1
SCHEMBL6999587 0.70 ITGB2 (0.50) PDE7AITGB2ICAM1ITGALALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 (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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 FBP1 3994/4885PDE7A 3807/4885ITGB2 3420/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 FBP1 3870/4885PDE7A 3933/4885ITGB2 3163/4885

“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.