SCHEMBL4144065

SCHEMBL4144065

CS(=O)(=O)C(C#N)=Cc1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 2/20 0.49
EGFR P00533 2/20 0.45
PKM P14618 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.43
PPME1 Q9Y570 5/20 0.43
APEH P13798 1/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
JAK3 P52333 1/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL4144063 1.00 NEK2 (0.49) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL11560494 0.82 PPME1 (0.55) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL11560496 0.82 PPME1 (0.55) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL9163544 0.82 PPME1 (0.46) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL9163553 0.82 PPME1 (0.46) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL9162134 0.80 ALDH1A1 (0.60) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL9162141 0.80 ALDH1A1 (0.60) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL8755120 0.79 PKM (0.44) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL8755116 0.79 PKM (0.44) NEK2EGFRPKML3MBTL1HPGD
SCHEMBL9160732 0.74 KDM4E (0.47) NEK2PKMHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484051-B1 Use of at least one blue-light screening agent to preserve the amount of endogenous carotenoids in the skin, new blue- light screening agents, cosmetic compositions. OREAL (FR) 2013-08-21 EP disclosed
US-20090074820-A1 AMINOARYLVINYL-S-TRIAZINE COMPOUNDS AND USES THEREOF L'OREAL (FR) 2009-03-19 US disclosed
US-7390916-B2 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2008-06-24 US disclosed
US-20070249853-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2007-10-25 US disclosed
US-7255853-B2 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2007-08-14 US disclosed
EP-1269979-B1 Aromatic amide, sulfonamide or carbamate acrylonitrile derivatives and photoprotective cosmetic compositions containing them OREAL (FR) 2005-11-16 EP disclosed
US-20050008588-A1 Aminoarylvinyl-s-triazine compounds and uses thereof L'OREAL (FR) 2005-01-13 US disclosed
EP-1484051-A2 Use of at least one blue-light screening agent to preserve the amount of endogenous carotenoids in the skin, new blue- light screening agents, cosmetic compositions. L'OREAL (FR) 2004-12-08 EP disclosed
US-20040175337-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2004-09-09 US disclosed
US-6749839-B2 TOPICAL SUNSCREENS FOR HAIR OR SKIN L'OREAL (FR) 2004-06-15 US disclosed
US-20030031691-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2003-02-13 US disclosed
EP-1269979-A1 Aromatic amide, sulfonamide or carbamate acrylonitrile derivatives and photoprotective cosmetic compositions containing them L'OREAL (FR) 2003-01-02 EP disclosed
US-5410630-A Optical article containing a polymer exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1995-04-25 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-20040175337-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile CBR3, CBR1, H1-10 NEK2 4642/4885EGFR 934/4885PKM 3452/4885
US-20030031691-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile CBR3, CBR1, NAA50 NEK2 4638/4885EGFR 954/4885PKM 3456/4885
US-20070249853-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile CBR3, C1R, H1-3 NEK2 3737/4885EGFR 677/4885PKM 3074/4885
US-20050008588-A1 Aminoarylvinyl-s-triazine compounds and uses thereof TYR, AAAS, ALAD NEK2 1123/4885EGFR 1706/4885PKM 4531/4885
US-20090074820-A1 AMINOARYLVINYL-S-TRIAZINE COMPOUNDS AND USES THEREOF TYR, AAAS, ALAD NEK2 1292/4885EGFR 1614/4885PKM 4535/4885

“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.