SCHEMBL9965813

SCHEMBL9965813

O=C(NC1CNC1)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.66
SMYD3 Q9H7B4 1/20 0.58
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 3/20 0.57
GAA P10253 3/20 0.57
CRBN Q96SW2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EPHX2 P34913 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48

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
Hydrochloric Acid SCHEMBL30585954 0.98 GRM5 (0.64) GRM5SMYD3KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL21640512 0.98 GRM5 (0.64) GRM5SMYD3KMT2AKDM4EGAA
Acetic Acid SCHEMBL21641057 0.94 GRM5 (0.59) GRM5SMYD3KMT2AKDM4EGAA
SCHEMBL14477846 0.88 GRM5 (0.63) GRM5SMYD3KMT2AKDM4EGAA
SCHEMBL31654175 0.88 GRM5 (0.63) GRM5SMYD3KMT2AKDM4EGAA
SCHEMBL31188521 0.88 GRM5 (0.63) GRM5SMYD3KMT2AKDM4EGAA
SCHEMBL30385208 0.88 GRM5 (0.63) GRM5SMYD3KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL28155964 0.87 GRM5 (0.62) GRM5SMYD3KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL28156653 0.87 GRM5 (0.62) GRM5SMYD3KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL28155966 0.87 GRM5 (0.62) GRM5SMYD3KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-9388164-B2 Methods of using pyruvate kinase activators AGIOS PHARMACEUTICALS, INC (US) 2016-07-12 US disclosed
US-9388164-B2 Methods of using pyruvate kinase activators AGIOS PHARMACEUTICALS, INC (US) 2016-07-12 US disclosed
US-9221792-B2 N-(4-(azetidine-1-carbonyl) phenyl)-(hetero-) arylsulfonamide derivatives as pyruvate kinase M2 (PMK2) modulators AGIOS PHARMACEUTICALS, INC (US) 2015-12-29 US disclosed
US-9221792-B2 N-(4-(azetidine-1-carbonyl) phenyl)-(hetero-) arylsulfonamide derivatives as pyruvate kinase M2 (PMK2) modulators AGIOS PHARMACEUTICALS, INC (US) 2015-12-29 US disclosed
EP-2651898-B1 NOVEL N-(4-(AZETIDINE-1-CARBONYL)PHENYL)-(HETERO-)ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed
US-20140155374-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-06-05 US disclosed
US-20140155374-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-06-05 US disclosed
US-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2014-03-13 US disclosed
US-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2014-03-13 US disclosed
WO-2012151448-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012083246-A1 NOVEL N- (4- (AZETIDINE - 1 - CARBONYL) PHENYL) - (HETERO - ) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (2 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-20140155374-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK3, PDK2 GRM5 3687/4885SMYD3 3647/4885KMT2A 1518/4885
US-20140073625-A1 NOVEL N-(4-(AZETIDINE-1-CARBONYL) PHENYL) - (HETERO-) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS PDK2, PDK3, PDK4 GRM5 2619/4885SMYD3 2700/4885KMT2A 534/4885

“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.