SCHEMBL458722

SCHEMBL458722

O=Cc1cc2cccc(Cl)c2nc1-c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
NQO2 P16083 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TTK P33981 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP2E1 P05181 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 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
SCHEMBL457853 0.85 CYP2A6 (0.47) ERN1SMN1; SMN2TTKNPC1RAB9A
SCHEMBL457871 0.84 DHODH (0.44) SMN1; SMN2NPC1RAB9AKDM4EL3MBTL1
SCHEMBL16712516 0.83 ERN1 (0.42) ERN1SMN1; SMN2TTKNPC1RAB9A
SCHEMBL456610 0.82 ERN1 (0.53) ERN1SMN1; SMN2TTKL3MBTL1CYP11B1
SCHEMBL456882 0.81 CYP2C9 (0.43) ERN1SMN1; SMN2TTKCYP2C9CYP2A6
SCHEMBL457679 0.81 ERN1 (0.40) ERN1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL458891 0.80 PIK3CD (0.37) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL456449 0.79 CYP2A6 (0.51) ERN1SMN1; SMN2TTKNPC1RAB9A
SCHEMBL29684066 0.78 NPY5R (0.34) NQO2ADORA2AADORA2BIRAK4MKNK1
SCHEMBL15363650 0.78 NPY5R (0.34) NQO2ADORA2AADORA2BIRAK4MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573580-A Crystalline forms of selegiline UCB生物制药有限责任公司 2022-06-03 CN disclosed
US-11059820-B2 Crystalline forms of seletalisib UCB BIOPHARMA SPRL (BE) 2021-07-13 US disclosed
EP-3630760-A1 CRYSTALLINE FORMS OF SELETALISIB UCB Biopharma SRL (BE) 2020-04-08 EP disclosed
US-20200095246-A1 CRYSTALLINE FORMS OF SELETALISIB UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2020-03-26 US disclosed
CN-110709399-A Crystalline forms of selegiline UCB生物制药私人有限公司 2020-01-17 CN disclosed
WO-2018219772-A1 CRYSTALLINE FORMS OF SELETALISIB UCB BIOPHARMA SPRL (BE) 2018-12-06 WO disclosed
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 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 (3 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-20200095246-A1 CRYSTALLINE FORMS OF SELETALISIB BRAF, PI4KB, PI4K2B ERN1 378/4885SMN1; SMN2 982/4885NQO2 3820/4885
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 ERN1 713/4885SMN1; SMN2 3681/4885NQO2 141/4885
US-11059820-B2 Crystalline forms of seletalisib BRAF, PI4KB, PI4K2B ERN1 378/4885SMN1; SMN2 982/4885NQO2 3820/4885

“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.