SCHEMBL2980728

SCHEMBL2980728

CCC(c1ccc(Nc2nc(C)cc3ccncc23)cc1)[C@H](N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 8/20 0.38
CSNK2A2 P19784 5/20 0.38
CSNK2B P67870 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ROCK2 O75116 3/20 0.36

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
SCHEMBL3835600 1.00 CSNK2A1 (0.38) CSNK2A1CSNK2A2CSNK2BMEN1KMT2A
SCHEMBL5147750 0.87 RAB9A (0.37) CSNK2A1CSNK2A2CSNK2BMEN1KMT2A
SCHEMBL5264737 0.82 TRPV1 (0.37) CSNK2A1CSNK2A2CSNK2BMEN1KMT2A
SCHEMBL5149503 0.82 TRPV1 (0.37) CSNK2A1CSNK2A2CSNK2BMEN1KMT2A
SCHEMBL5149330 0.80 PTGER4 (0.35) CSNK2A2CSNK2BMEN1KMT2AMAPT
SCHEMBL2980724 0.76 MEN1 (0.42) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL5262210 0.76 MEN1 (0.42) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL5259518 0.76 MAPT (0.40) CSNK2A1MEN1KMT2ANPSR1MAPT
SCHEMBL2980731 0.75 MEN1 (0.43) CSNK2A1CSNK2A2CSNK2BMEN1KMT2A
SCHEMBL27607194 0.75 SYK (0.45) CSNK2A1CSNK2A2CSNK2BMEN1KMT2A

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-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 US disclosed
EP-1780201-A2 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R&D Limited (GB) 2007-05-02 EP disclosed
US-7122556-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2006-10-17 US disclosed
US-6878718-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2005-04-12 US disclosed
US-20050038084-A1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED 2005-02-17 US disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 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 (5 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-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR CSNK2A1 374/4885CSNK2A2 363/4885CSNK2B 286/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B CSNK2A1 528/4885CSNK2A2 506/4885CSNK2B 347/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH CSNK2A1 522/4885CSNK2A2 467/4885CSNK2B 426/4885
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 CSNK2A1 568/4885CSNK2A2 617/4885CSNK2B 545/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR CSNK2A1 374/4885CSNK2A2 363/4885CSNK2B 286/4885

“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.