SCHEMBL6957597

SCHEMBL6957597

COCC(=O)NCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
SPR P35270 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14996245 0.88 TSHR (0.44) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL14996240 0.86 TSHR (0.43) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL21016081 0.85 FAAH (0.45) SMN1; SMN2HTTKMT2AMEN1HPGD
SCHEMBL24935539 0.82 TSHR (0.51) KMT2AMEN1HPGDLMNAPKM
SCHEMBL2730627 0.82 SPR (0.49) HTTKMT2AMEN1HPGDLMNA
SCHEMBL13328238 0.80 SMN1; SMN2 (0.46) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL12384295 0.80 TSHR (0.53) SMN1; SMN2HTTKMT2AMEN1GAA
SCHEMBL23471188 0.80 SMN1; SMN2 (0.46) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL2976450 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL20939040 0.79 KMT2A (0.46) SMN1; SMN2HTTKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350181-B1 HER3 LIGANDS AND USES THEREOF UNIV CALIFORNIA (US) 2023-11-01 EP disclosed
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-29 US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 US disclosed
US-10793563-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (10 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 SMN1; SMN2 4182/4885HTT 2073/4885KMT2A 1949/4885
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS SMN1; SMN2 3432/4885HTT 2363/4885KMT2A 1832/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 SMN1; SMN2 4182/4885HTT 2073/4885KMT2A 1949/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SMN1; SMN2 4086/4885HTT 2128/4885KMT2A 1997/4885
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SMN1; SMN2 3489/4885HTT 854/4885KMT2A 3370/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SMN1; SMN2 3489/4885HTT 854/4885KMT2A 3370/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SMN1; SMN2 3489/4885HTT 854/4885KMT2A 3370/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 SMN1; SMN2 3143/4885HTT 1802/4885KMT2A 1262/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SMN1; SMN2 3489/4885HTT 854/4885KMT2A 3370/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR SMN1; SMN2 3489/4885HTT 854/4885KMT2A 3370/4885

“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.