SCHEMBL19199732

SCHEMBL19199732

CC(C)(C)c1nccn1C(=O)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
CYP24A1 Q07973 1/20 0.36
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
ADRB2 P07550 5/20 0.33
ADRB1 P08588 5/20 0.33
ADRB3 P13945 5/20 0.33
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL7017228 0.76 ALDH1A1 (0.41) ALDH1A1LMNACYP24A1FAAHMGLL
SCHEMBL3732955 0.74 KMT2A (0.36) LMNAKMT2AHTTSMN1; SMN2
SCHEMBL28277861 0.73 PARP1 (0.39) ALDH1A1LMNAKMT2A
SCHEMBL9316350 0.71 KMT2A (0.34) KMT2A
SCHEMBL1325 0.71 FAAH (0.45) ALDH1A1LMNACYP24A1FAAHMGLL
SCHEMBL15846673 0.71 FAAH (0.45) ALDH1A1LMNACYP24A1FAAHMGLL
SCHEMBL2194853 0.69 FAAH (0.44) ALDH1A1LMNACYP24A1FAAHMGLL
Phosphine SCHEMBL31680518 0.69 FAAH (0.44) ALDH1A1LMNACYP24A1FAAHMGLL
Hydrogen Sulfide SCHEMBL10814521 0.69 FAAH (0.44) ALDH1A1LMNACYP24A1FAAHMGLL
SCHEMBL10814524 0.69 FAAH (0.44) ALDH1A1LMNACYP24A1FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 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-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 ALDH1A1 4510/4885LMNA 1910/4885CYP24A1 3749/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ALDH1A1 4568/4885LMNA 2013/4885CYP24A1 3785/4885

“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.