SCHEMBL17813477

SCHEMBL17813477

Cc1cnc2cnc(=O)n(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.46
ALDH1A1 P00352 15/20 0.46
HSD17B10 Q99714 12/20 0.46
CASP1 P29466 9/20 0.46
CASP7 P55210 9/20 0.46
HPGD P15428 4/20 0.46
CYP2D6 P10635 3/20 0.46
USP2 O75604 7/20 0.45
CYP2C19 P33261 5/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 6/20 0.41
CYP3A4 P08684 5/20 0.41
MAPK1 P28482 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2C9 P11712 3/20 0.41
CLK4 Q9HAZ1 5/20 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
SCHEMBL17813476 0.74 CDK4 (0.41) HSD17B10HPGD
SCHEMBL17813499 0.70 CYP1A2 (0.63) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL17813498 0.69 CDK4 (0.33) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL17813507 0.69 CYP1A2 (0.53) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL22054402 0.68 CCNB2 (0.33) ALDH1A1HSD17B10HPGD
SCHEMBL17813502 0.68 CYP1A2 (0.44) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL5448218 0.67 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL17813472 0.67 CYP1A2 (0.36) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL5445042 0.66 KDM4E (0.56) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL17813552 0.66 HSD17B10 (0.32) CYP1A2ALDH1A1HSD17B10CASP1CASP7

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 CYP1A2 4563/4885ALDH1A1 4568/4885HSD17B10 2464/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CYP1A2 4563/4885ALDH1A1 4568/4885HSD17B10 2464/4885

“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.