SCHEMBL17813499

SCHEMBL17813499

Cc1ncc2ncc(=O)n(C)c2n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.63
ALDH1A1 P00352 13/20 0.63
CASP1 P29466 11/20 0.63
CASP7 P55210 11/20 0.63
HSD17B10 Q99714 11/20 0.63
HPGD P15428 5/20 0.63
CYP2D6 P10635 3/20 0.63
CYP2C19 P33261 7/20 0.59
USP2 O75604 5/20 0.59
GLA P06280 3/20 0.59
CYP3A4 P08684 7/20 0.55
TSHR P16473 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPK1 P28482 4/20 0.55
CYP2C9 P11712 3/20 0.55
CLK4 Q9HAZ1 8/20 0.52
ALOX15 P16050 1/20 0.40
HIF1A Q16665 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
SCHEMBL31532069 0.80 CYP1A2 (0.61) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL31532070 0.80 CYP1A2 (0.61) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL31532063 0.79 CYP1A2 (0.69) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL31532102 0.77 CYP1A2 (0.58) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL25466697 0.77 CYP1A2 (0.58) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL19508036 0.76 CYP1A2 (0.67) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL17813507 0.76 CYP1A2 (0.53) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL29861616 0.74 CDK4 (0.55) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL25462029 0.74 CDK4 (0.55) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL31532138 0.72 CYP1A2 (0.53) CYP1A2ALDH1A1CASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
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 4568/4885CASP1 2878/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CYP1A2 4563/4885ALDH1A1 4568/4885CASP1 2878/4885

“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.