SCHEMBL4184831

SCHEMBL4184831

CCC(CC)n1c(=O)n(C)c2cnc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.35
BCL6 P41182 1/20 0.32
GSK3B P49841 1/20 0.32
PIK3CA P42336 4/20 0.31
MTOR P42345 4/20 0.31
USP1 O94782 2/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31
PDE4B Q07343 1/20 0.30
TSPO P30536 1/20 0.30

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
SCHEMBL28722266 0.86 HPGD (0.37) HSD17B10HPGDHTTPIK3CAMTOR
SCHEMBL1781420 0.84 ADORA2B (0.43) HSD17B10HPGDHTTGSK3BPIK3CA
SCHEMBL23620552 0.78 HPGD (0.56) HSD17B10HPGDHTTGSK3BPIK3CA
SCHEMBL25057366 0.74 HSD17B10 (0.44) HSD17B10HPGDHTTBCL6GSK3B
SCHEMBL4184836 0.73 PDE4A (0.43) HSD17B10HPGDHTTCYP1A2PDE4B
SCHEMBL30328166 0.73 HPGD (0.38) HSD17B10HPGDHTTBCL6USP1
SCHEMBL6806254 0.72 CDK4 (0.46) CYP1A2
SCHEMBL24572009 0.72 HSD17B10 (0.37) HSD17B10HPGDHTTBCL6GSK3B
SCHEMBL4191400 0.71 CYP1A2 (0.49) CYP1A2USP1PDE4B
SCHEMBL20367292 0.70 TRPC5 (0.35) HSD17B10HPGDHTTCYP1A2BCL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP HSD17B10 2847/4885HPGD 824/4885HTT 1831/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP HSD17B10 2847/4885HPGD 824/4885HTT 1831/4885

“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.