SCHEMBL2977936

SCHEMBL2977936

Nc1ccc(Sc2ccccn2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.59
ICAM1 P05362 3/20 0.51
ITGB2 P05107 2/20 0.51
ITGAL P20701 2/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.44
SYK P43405 1/20 0.42
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EHMT2 Q96KQ7 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
SCHEMBL4029446 0.81 PDE7A (0.58) PDE7AICAM1ITGB2ITGALALDH1A1
SCHEMBL7187676 0.76 ITGB2 (0.80) PDE7AICAM1ITGB2ITGALPOLB
SCHEMBL4032090 0.75 PDE7A (1.00) PDE7APOLBALDH1A1NPSR1MAPT
SCHEMBL18319626 0.74 PDE7A (0.53) PDE7AICAM1ITGB2ITGALALDH1A1
SCHEMBL5253210 0.74 PDE7A (0.79) PDE7AICAM1ITGB2ITGALALDH1A1
Hydrochloric Acid SCHEMBL7615653 0.74 ITGB2 (0.70) PDE7AICAM1ITGB2ITGALALDH1A1
SCHEMBL9719813 0.74 SYK (0.52) PDE7AICAM1ITGB2ITGALALDH1A1
SCHEMBL8305856 0.74 ALDH1A1 (0.52) PDE7AICAM1ITGB2ITGALALDH1A1
SCHEMBL3481634 0.73 PDE7A (0.62) PDE7APOLBALDH1A1NPSR1MAPT
SCHEMBL4034456 0.73 KMT2A (0.53) PDE7AICAM1ITGB2ITGALALDH1A1

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
US-7767671-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2010-08-03 US disclosed
US-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2009-03-05 US disclosed
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-7449460-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2008-11-11 US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
WO-2005082891-A1 -QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2005-09-09 WO disclosed
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2005-08-25 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (4 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 PDE7A 3807/4885ICAM1 3706/4885ITGB2 3420/4885
US-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS RAF1, KRAS, NRAS PDE7A 2663/4885ICAM1 4024/4885ITGB2 3691/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PDE7A 3933/4885ICAM1 3713/4885ITGB2 3163/4885
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors RAF1, KRAS, NRAS PDE7A 2663/4885ICAM1 4024/4885ITGB2 3691/4885

“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.