SCHEMBL2299111

SCHEMBL2299111

Cn1c2c(c3ccccc31)Cc1ccc(F)cc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
ATM Q13315 1/20 0.46
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
MAOA P21397 3/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL12382619 0.83 HTR2A (0.37) PARP1ATMACHEMAPTMEN1
SCHEMBL2295376 0.83 ATM (0.46) PARP1ATMGSK3BCA1CA2
SCHEMBL6248438 0.82 GSK3B (0.48) GSK3AGSK3BCA1CA2CA4
SCHEMBL29370499 0.82 GSK3B (0.48) GSK3AGSK3BCA1CA2CA4
SCHEMBL2296035 0.81 CA1 (0.53) GSK3AGSK3BCA1CA2CA4
SCHEMBL2292309 0.80 MAOA (0.47) CA1CA2CA4CA6MAOA
SCHEMBL12382596 0.70 ACHE (0.40) GSK3AGSK3BACHEMAPTMEN1
SCHEMBL2952793 0.70 KDM4E (0.49) GSK3BACHEMAPTMAPK1MEN1
SCHEMBL17914703 0.70 CCNB2 (0.41) GSK3BMAOAMAPTALDH1A1HTR2C
SCHEMBL29727899 0.70 KDM4E (0.49) GSK3BACHEMAPTMAPK1MEN1

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-8703936-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-22 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-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-20140045207-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 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
US-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 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
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
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
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 (1 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-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 PARP1 203/4885ATM 918/4885GSK3A 4321/4885

“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.