SCHEMBL6727072

SCHEMBL6727072

CCOC(=O)c1cnc2c(N)cc(CN3CCOCC3)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.49
UHRF1 Q96T88 1/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
DYRK1A Q13627 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6770775 0.88 RAD52 (0.49) RAD52UHRF1ALDH1A1POLBPKM
SCHEMBL6610256 0.87 RAD52 (0.48) RAD52UHRF1ALDH1A1POLBPKM
SCHEMBL6732194 0.87 RXFP1 (0.46) RAD52UHRF1ALDH1A1POLBPKM
SCHEMBL6724236 0.86 RAD52 (0.45) RAD52UHRF1ALDH1A1POLBPKM
SCHEMBL6724134 0.81 ALDH1A1 (0.46) RAD52UHRF1ALDH1A1POLBKMT2A
SCHEMBL6605450 0.81 KMT2A (0.46) RAD52UHRF1ALDH1A1POLBPKM
SCHEMBL6726994 0.76 KCNH2 (0.55) ALDH1A1RXFP1
SCHEMBL146852 0.74 TSHR (0.55) ALDH1A1POLBMAPK1HSD17B10MAPT
SCHEMBL6770420 0.71 PDE4B (0.43) RAD52UHRF1ALDH1A1POLBPKM
SCHEMBL11240555 0.70 THRB (0.57) RAD52UHRF1ALDH1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RAD52 2381/4885UHRF1 1000/4885ALDH1A1 779/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RAD52 2381/4885UHRF1 1000/4885ALDH1A1 779/4885

“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.