SCHEMBL19926261

SCHEMBL19926261

COc1cc(C(=O)C(C#N)c2ccccc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 1/20 0.37
PROKR1 Q8TCW9 1/20 0.36
MGLL Q99685 1/20 0.36
MAPK1 P28482 2/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL838746 0.83 L3MBTL1 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL29875434 0.81 KMT2A (0.51) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL19926080 0.81 KMT2A (0.51) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL29875287 0.80 TRPA1 (0.39) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL19926132 0.80 TRPA1 (0.39) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL838079 0.76 L3MBTL1 (0.52) ALDH1A1KMT2AMEN1ESR2HSD17B10
SCHEMBL7200938 0.76 TDP1 (0.50) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL19926083 0.75 MAPT (0.56) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23232492 0.74 KCNK3 (0.39) CTSAKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL13890753 0.74 KCNK3 (0.48) CTSAKCNK3KCNK9ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US disclosed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 US disclosed
EP-3507290-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES Agios Pharmaceuticals, Inc. (US) 2019-07-10 EP disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US disclosed
WO-2018045071-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 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 (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-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 CTSA 2922/4885KCNK3 4798/4885KCNK9 4763/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 CTSA 2922/4885KCNK3 4798/4885KCNK9 4763/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 CTSA 2922/4885KCNK3 4798/4885KCNK9 4763/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 CTSA 2922/4885KCNK3 4798/4885KCNK9 4763/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 CTSA 2922/4885KCNK3 4798/4885KCNK9 4763/4885

“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.