SCHEMBL16019498

SCHEMBL16019498

CC(C)c1ccnc(N2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.48
HRH4 Q9H3N8 3/20 0.46
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SORD Q00796 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRB1 P08588 1/20 0.39
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
OGA O60502 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL10203431 0.93 HRH4 (0.56) PANK3HRH4HRH3TLR9TLR8
SCHEMBL2737324 0.93 HRH4 (0.51) PANK3HRH4MAPTNPC1GAA
SCHEMBL4547903 0.93 HRH4 (0.47) PANK3HRH4MAPTNPC1GAA
SCHEMBL15341763 0.92 TLR9 (0.46) PANK3HRH4MAPTOGAHRH3
SCHEMBL11951622 0.91 HRH4 (0.54) PANK3HRH4MAPTNPC1GAA
SCHEMBL15341762 0.89 LRRK2 (0.42) PANK3HRH4MAPTGAAMEN1
SCHEMBL13428642 0.88 ADRB1 (0.55) PANK3HRH4ADRB1HRH3TLR9
SCHEMBL1911474 0.88 PIK3CA (0.54) CYP2C19HTT
Hydrochloric Acid SCHEMBL31061321 0.87 ADRB1 (0.54) PANK3HRH4ADRB1HRH3TLR9
SCHEMBL26971206 0.87 LRRK2 (0.41) PANK3HRH4MAPTNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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 (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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 PANK3 2345/4885HRH4 2903/4885MAPT 2244/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 PANK3 2345/4885HRH4 2903/4885MAPT 2244/4885

“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.