SCHEMBL726503

SCHEMBL726503

N#CC(C#N)=C(O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SRD5A2 P31213 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL9791325 0.88 EGFR (0.56) EGFRTSHRMEN1KMT2AALDH1A1
SCHEMBL8743684 0.79 EGFR (0.54) EGFRTSHRALOX15MEN1KMT2A
SCHEMBL3094764 0.78 EGFR (0.52) EGFRTSHRCES2CES1MEN1
SCHEMBL14698829 0.77 EGFR (0.47) EGFRCES2CES1MEN1KMT2A
SCHEMBL15613572 0.77 EGFR (0.47) EGFRALOX15CES2CES1MEN1
SCHEMBL15669600 0.77 EGFR (0.47) EGFRMEN1KMT2AALDH1A1CA1
SCHEMBL18955999 0.77 MAPK1 (0.44) EGFRTSHRALOX15CES2CES1
SCHEMBL16886108 0.77 EGFR (0.47) EGFRCES2CES1SRD5A2MEN1
SCHEMBL4657618 0.76 GABRA1 (0.56) TSHRALOX15CES2CES1GABRA1
SCHEMBL18956061 0.76 POLB (0.48) TSHRALOX15CES2CES1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 US disclosed
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 EP disclosed
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 EP disclosed
US-10626122-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2020-04-21 US disclosed
US-10626122-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2020-04-21 US disclosed
US-20180362541-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-12-20 US disclosed
EP-3386591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF Cadent Therapeutics, Inc. (US) 2018-10-17 EP disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 WO disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 WO disclosed
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 US disclosed
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 US disclosed
WO-2012003544-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-12 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 (7 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-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 EGFR 992/4885TSHR 759/4885ALOX15 1646/4885
US-10626122-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 EGFR 992/4885TSHR 759/4885ALOX15 1646/4885
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 EGFR 992/4885TSHR 759/4885ALOX15 1646/4885
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment PRKDC, PRKACA, PRKX EGFR 495/4885TSHR 3886/4885ALOX15 3722/4885
US-20180362541-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 EGFR 992/4885TSHR 759/4885ALOX15 1646/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 EGFR 992/4885TSHR 759/4885ALOX15 1646/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 EGFR 992/4885TSHR 759/4885ALOX15 1646/4885

“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.