SCHEMBL17813481

SCHEMBL17813481

Cc1ccc2cnc(=O)n(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
BTK Q06187 1/20 0.40
MAPT P10636 2/20 0.40
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
NR1I2 O75469 2/20 0.35
EGFR P00533 1/20 0.35
ADRA2A P08913 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS2 P35354 1/20 0.35
OPRD1 P41143 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL5985212 0.79 ALDH1A1 (0.38) MAPTPDE2APDE3BPDE3ANR1I2
SCHEMBL29093827 0.76 BTK (0.41) KMOBTKMAPTPDE4DTP53
SCHEMBL30692889 0.76 CA12 (0.52) KMOMAPTPDE2APDE3BPDE3A
SCHEMBL8229991 0.76 CA12 (0.52) KMOMAPTPDE2APDE3BPDE3A
SCHEMBL29093861 0.74 BTK (0.40) KMOBTKMAPTKDM4ETP53
SCHEMBL1119899 0.73 BRPF1 (0.59) KMOMAPTPDE2APDE3BPDE3A
SCHEMBL17813472 0.73 CYP1A2 (0.36) PDE2APDE3BPDE3ACYP1A2PDE4D
SCHEMBL30754455 0.71 BRPF1 (0.47) BTKCYP1A2CYP2A6KDM4E
SCHEMBL19448891 0.70 BRPF1 (0.54) MAPTPDE2APDE3BPDE3ARXFP1
SCHEMBL31743108 0.70 MAT2A (0.48) KMOMAPTRXFP1CYP1A2KDM4E

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-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 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-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KMO 3174/4885BTK 1273/4885MAPT 1083/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KMO 3174/4885BTK 1273/4885MAPT 1083/4885

“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.