SCHEMBL22497977

SCHEMBL22497977

NC(=O)c1cccn(C2CC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 11/20 0.43
PARP2 Q9UGN5 8/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 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
SCHEMBL30509877 0.92 MEN1 (0.53) TYK2MEN1KMT2APARP1PARP2
SCHEMBL31465195 0.84 PARP1 (0.43) TYK2PARP1PARP2
SCHEMBL20594635 0.84 KDM4E (0.42) TYK2KMT2AKDM4EALDH1A1POLB
SCHEMBL27362176 0.79 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL22498188 0.78 KDM4E (0.47) MEN1KMT2APARP1KDM4EALDH1A1
SCHEMBL18161061 0.78 KMT2A (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30612395 0.77 KDM4E (0.52) TYK2MEN1KMT2APARP1PARP2
Hydrochloric Acid SCHEMBL11452770 0.76 KMT2A (0.45) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11452769 0.76 CNR2 (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23898539 0.76 TYK2 (0.43) TYK2MEN1KMT2APARP1PARP2

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
US-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-09-22 US disclosed
US-20220194938-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-06-23 US disclosed
US-20220194938-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-06-23 US disclosed
EP-3947377-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-02-09 EP disclosed
EP-3947374-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-02-09 EP disclosed
CN-113677679-A Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders 加拉帕戈斯股份有限公司 2021-11-19 CN disclosed
CN-113677678-A Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders 加拉帕戈斯股份有限公司 2021-11-19 CN disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed
WO-2020200899-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed
WO-2020200899-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed
CN-108137542-A Pyridone diformamide as bromine structural domain inhibitor 葛兰素史克知识产权第二有限公司 2018-06-08 CN 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-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS LTB4R2, LTC4S, LTB4R TYK2 1266/4885MEN1 2342/4885KMT2A 4033/4885
US-20220194938-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS LTB4R2, LTC4S, CYSLTR1 TYK2 1419/4885MEN1 2746/4885KMT2A 4087/4885

“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.