SCHEMBL1454367

SCHEMBL1454367

CC(C)Nc1ccc2nc(C#N)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
LDHA P00338 2/20 0.41
CSNK1D P48730 1/20 0.40
CSNK1G2 P78368 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DYRK1A Q13627 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
USP30 Q70CQ3 1/20 0.37
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
PSMB8 P28062 2/20 0.36

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
SCHEMBL3901472 0.83 APP (0.56) APPLDHACSNK1DCSNK1G2MAPT
SCHEMBL19190182 0.83 APP (0.38) APPLDHACSNK1DCSNK1G2MAPT
SCHEMBL1455414 0.79 APP (0.43) APPLDHACSNK1DCSNK1G2KDM4E
SCHEMBL17211305 0.78 RAB9A (0.59) APPCSNK1DCSNK1G2MAPTMEN1
SCHEMBL2078737 0.78 LDHA (0.43) APPLDHAMAPTKDM4EMEN1
SCHEMBL1455389 0.78 KMT2A (0.48) APPLDHAMAPTKDM4EMEN1
SCHEMBL3900130 0.78 CSNK1D (0.42) APPCSNK1DCSNK1G2MAPTKDM4E
SCHEMBL12312871 0.77 APP (0.41) APPLDHACSNK1DCSNK1G2KDM4E
SCHEMBL12312851 0.76 KDM4E (0.48) LDHAMAPTKDM4EMEN1KMT2A
SCHEMBL22585064 0.76 NPC1 (0.48) APPCSNK1DCSNK1G2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814787-B2 Luciferin amides UNIVERSITY OF MASSACHUSETTS (US) 2017-11-14 US disclosed
US-9814787-B2 Luciferin amides UNIVERSITY OF MASSACHUSETTS (US) 2017-11-14 US disclosed
US-20160279268-A1 Luciferin Amides UNIVERSITY OF MASSACHUSETTS 2016-09-29 US disclosed
US-20160279268-A1 Luciferin Amides UNIVERSITY OF MASSACHUSETTS 2016-09-29 US disclosed
US-9370588-B2 Luciferin amides UNIVERSITY OF MASSACHUSETTS (US) 2016-06-21 US disclosed
US-9370588-B2 Luciferin amides UNIVERSITY OF MASSACHUSETTS (US) 2016-06-21 US disclosed
US-20140193340-A1 Luciferin Amides UNIVERSITY OF MASSACHUSETTS (US) 2014-07-10 US disclosed
US-20140193340-A1 Luciferin Amides UNIVERSITY OF MASSACHUSETTS (US) 2014-07-10 US disclosed
US-20120276564-A1 Luciferins UNIVERSITY OF MASSACHUSETTS (US) 2012-11-01 US disclosed
US-8216550-B2 Luciferins UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 US disclosed
US-20110136156-A1 LUCIFERINS UNIVERSITY OF MASSACHUSETTS, A MASSACHUSETTS CORPORATION 2011-06-09 US disclosed
US-7910087-B2 Generating light UNIVERSITY OF MASSACHUSETTS (US) 2011-03-22 US disclosed
US-20080226557-A1 Luciferins UNIVERSITY OF MASSACHUSETTS 2008-09-18 US disclosed
WO-2008109459-A1 LUCIFERINS UNIVERSITY OF MASSACHUSETTS (US) 2008-09-12 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-20080226557-A1 Luciferins GLB1, GUSB, CHLSN APP 2491/4885LDHA 430/4885CSNK1D 3078/4885
US-20160279268-A1 Luciferin Amides FAAH, FAAH2, MGLL APP 1268/4885LDHA 831/4885CSNK1D 2314/4885
US-20140193340-A1 Luciferin Amides FAAH, FAAH2, MGLL APP 1268/4885LDHA 831/4885CSNK1D 2314/4885

“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.