SCHEMBL4040203

SCHEMBL4040203

Cc1cccc(C)c1Nc1nc2ccc(NCC(O)CO)nc2n2cncc12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.53
SRC P12931 1/20 0.45

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
SCHEMBL4043330 0.94 LCK (0.59) LCKSRC
SCHEMBL4038739 0.86 LCK (0.56) LCKSRC
SCHEMBL4041863 0.85 LCK (0.51) LCKSRC
SCHEMBL4036355 0.85 LCK (0.51) LCKSRC
SCHEMBL4036251 0.85 LCK (0.51) LCKSRC
SCHEMBL4036241 0.81 LCK (0.51) LCKSRC
SCHEMBL4038784 0.81 LCK (0.51) LCKSRC
SCHEMBL4036352 0.81 LCK (0.51) LCKSRC
SCHEMBL4038056 0.80 LCK (0.56) LCKSRC
SCHEMBL4039834 0.80 LCK (0.56) LCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP claimed
EP-1066286-A4 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
EP-1066286-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-10 EP claimed
WO-1999045009-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-10 WO claimed
WO-2009109504-A1 ENOL CARBAMATE DERIVATIVES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-11 WO disclosed
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed
WO-2009026422-A2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 WO disclosed
EP-1483273-B1 LIGANDS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2009-01-07 EP disclosed
US-7407910-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2008-08-05 US disclosed
US-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation BERENS ULRICH 2006-10-26 US disclosed
US-7094907-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2006-08-22 US disclosed
US-20040260091-A1 Ligands for asymmetric reactions SOLVIAS AG (CH) 2004-12-23 US disclosed
US-5565593-A FERROCENYL-1,1'-BIS(DIETHYPHOSPHONITE); CHEMICAL INTERMEDIATES FOR PREPERATION OF PHOSPHOLANE LIGANDS AND CHIRAL COMPLEXES, USEFUL AS CATALYSTS FOR CARRYING OUT ENANTIOSELECTIVE REACTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-15 US disclosed
US-5559267-A ENANTIOMORPHS, STEREOCHEMICAL CONTROL AND ASSYMETRIC INDUCTION, HYDROGENATION OF UNSATURATED ESTERS, COORDINATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US disclosed
US-5532395-A HYDROGENATION CATALYSTS ) E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-02 US disclosed
US-5386061-A Reacting a bis(primary phosphine in the presence of a strong base with a cyclic sulfate; cyclization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-31 US disclosed
US-5329015-A Catalysts for stereospecific reactions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-12 US disclosed
EP-0592552-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. DU PONT (US) 1994-04-20 EP disclosed
WO-1993001199-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-21 WO disclosed
US-5171892-A Chiral phospholanes via chiral 1,4-diol cyclic sulfates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-15 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 (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-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation NR2E3, WNK2, OXSR1 LCK 377/4885SRC 573/4885
US-20040260091-A1 Ligands for asymmetric reactions COASY, ICMT, AP2M1 LCK 566/4885SRC 1705/4885

“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.