SCHEMBL12319785

SCHEMBL12319785

O=C1Nc2ccccc2C#Cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.55
ACVR1 Q04771 2/20 0.55
PDGFRA P16234 1/20 0.55
FER P16591 1/20 0.55
LTK P29376 1/20 0.55
CDK8 P49336 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
GSK3B P49841 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.42
CHEK1 O14757 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL8123268 0.84 LRRK2 (0.55) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL17254632 0.81 LRRK2 (0.38) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL21151025 0.78 GAA (0.43) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL19543486 0.76 ALDH1A1 (0.32) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL2420711 0.75 LRRK2 (0.90) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL366728 0.75
SCHEMBL26678234 0.73 DAO (0.54) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL27425410 0.72 LRRK2 (0.74) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL1368292 0.72 LRRK2 (1.00) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL27980501 0.72 LRRK2 (0.82) LRRK2ACVR1PDGFRAFERLTK

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330245-A1 ANTIBODY-EXATECAN CONJUGATES SYNAFFIX B.V. (NL) 2023-10-19 US disclosed
EP-4218833-A1 LABELING OF ANTIBODIES Whitehead Institute for Biomedical Research (US) 2023-08-02 EP disclosed
WO-2023065137-A1 SITE-SPECIFIC GLYCOPROTEIN CONJUGATES AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-04-27 WO disclosed
US-20230035898-A1 CYCLODEXTRIN PROTEIN DRUG CONJUGATES REGENERON PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20230035986-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-02-02 US disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
WO-2021011927-A1 COMPLEMENT INHIBITOR DOSING REGIMENS APELLIS PHARMACEUTICALS, INC. (US) 2021-01-21 WO disclosed
WO-2019118938-A1 DOSING REGIMENS AND RELATED COMPOSITIONS AND METHODS APELLIS PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed
US-9987373-B2 Modified glycoprotein, protein-conjugate and process for the preparation thereof SYNAFFIX B.V. (NL) 2018-06-05 US disclosed
US-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS DUKE UNIVERSITY 2017-11-16 US disclosed
US-9642924-B2 Contrast agents based on long-lived nuclear singlet states and related methods DUKE UNIVERSITY (US) 2017-05-09 US disclosed
US-9599628-B2 Small molecule-dependent split aptamer ligation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-03-21 US disclosed
WO-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
WO-2016050210-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
US-20150064113-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS DUKE UNIVERSITY 2015-03-05 US disclosed
US-8703936-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-22 US disclosed
US-20140045207-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 US disclosed
WO-2011113065-A2 PEGYLATED POLYPLEXES FOR POLYNUCLEOTIDE DELIVERY INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2011-09-15 WO disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 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 (6 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-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS OAT, RXFP1, RXFP2 LRRK2 695/4885ACVR1 3615/4885PDGFRA 3890/4885
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 LRRK2 4150/4885ACVR1 2323/4885PDGFRA 1317/4885
US-20150064113-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS OAT, RXFP1, RXFP2 LRRK2 695/4885ACVR1 3615/4885PDGFRA 3890/4885
US-20230330245-A1 ANTIBODY-EXATECAN CONJUGATES ERBB3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL23R LRRK2 1360/4885ACVR1 694/4885PDGFRA 2611/4885
US-20230035898-A1 CYCLODEXTRIN PROTEIN DRUG CONJUGATES SDCBP, DDOST, KRTCAP2 LRRK2 2643/4885ACVR1 3899/4885PDGFRA 2607/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 LRRK2 1114/4885ACVR1 704/4885PDGFRA 2233/4885

“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.