SCHEMBL2201863

SCHEMBL2201863

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 1/20 0.82
STK4 Q13043 5/20 0.80
EGFR P00533 14/20 0.78
ERBB2 P04626 14/20 0.78

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
SCHEMBL22419649 0.93 STK4 (0.79) STK3STK4EGFRERBB2
SCHEMBL4965102 0.92 EGFR (0.81) STK3STK4EGFRERBB2
SCHEMBL22847992 0.91 EGFR (0.85) EGFRERBB2
SCHEMBL33532011 0.90 STK3 (1.00) STK3STK4EGFRERBB2
SCHEMBL2384641 0.90 STK3 (1.00) STK3STK4EGFRERBB2
SCHEMBL5496956 0.89 EGFR (0.86) EGFRERBB2
SCHEMBL5496959 0.89 EGFR (0.86) EGFRERBB2
SCHEMBL22419619 0.89 STK4 (0.82) STK3STK4EGFRERBB2
SCHEMBL29515007 0.89 STK4 (0.82) STK3STK4EGFRERBB2
SCHEMBL22419648 0.89 STK4 (1.00) STK3STK4EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427560-B2 Composition and methods for inhibiting mammalian sterile 20-like kinase 1 THE SCRIPPS RESEARCH INSTITUTE (US) 2022-08-30 US disclosed
US-20210061784-A1 COMPOSITION AND METHODS FOR INHIBITING MAMMALIAN STERILE 20-LIKE KINASE 1 UNIVERSITÄT BREMEN (DE) 2021-03-04 US disclosed
US-10774068-B2 Composition and methods for inhibiting mammalian sterile 20-like kinase 1 THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-15 US disclosed
US-7982043-B2 Protein tyrosine kinase enzyme inhibitors WYETH LLC (US) 2011-07-19 US disclosed
US-20080319011-A1 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2008-12-25 US disclosed
US-7399865-B2 such as (E)-N-{4-[4-(benzyloxy)-3-chloroanilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide used as antineoplastic agents, or inhibitors of the HER-2 gene or proteins and epidermal growth factor receptor enzymes WYETH (US) 2008-07-15 US disclosed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 US disclosed
EP-1670473-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2006-06-21 EP disclosed
WO-2005034955-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2005-04-21 WO disclosed
WO-2005028443-A2 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH A CORPORATION OF THE STATE OF DELAWARE, USA (US) 2005-03-31 WO disclosed
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors WYETH (US) 2005-03-17 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 (6 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-20210061784-A1 COMPOSITION AND METHODS FOR INHIBITING MAMMALIAN STERILE 20-LIKE KINASE 1 TESK2, TESK1, PRKACB STK3 456/4885STK4 852/4885EGFR 3953/4885
US-20080319011-A1 PROTEIN TYROSINE KINASE ENZYME INHIBITORS ABL1, ERBB2, RET STK3 138/4885STK4 168/4885EGFR 6/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET STK3 138/4885STK4 168/4885EGFR 6/4885
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof HCCS, CYP3A7, QPCT STK3 444/4885STK4 838/4885EGFR 4068/4885
US-11427560-B2 Composition and methods for inhibiting mammalian sterile 20-like kinase 1 TESK2, TESK1, PRKACB STK3 456/4885STK4 852/4885EGFR 3953/4885
US-10774068-B2 Composition and methods for inhibiting mammalian sterile 20-like kinase 1 TESK2, TESK1, PRKACB STK3 456/4885STK4 852/4885EGFR 3953/4885

“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.