SCHEMBL10097663

SCHEMBL10097663

CCOc1ccc2c(N)c(-c3ccc(N)cc3)n(C3CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
TERT O14746 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL13153361 0.95 TDP1 (0.40) TDP1TSHRMEN1KMT2ATERT
SCHEMBL14466373 0.86 MEN1 (0.41) TDP1TSHRMEN1KMT2ATERT
SCHEMBL14467697 0.86 ATM (0.33) TDP1TSHRMEN1KMT2ATERT
SCHEMBL10096523 0.85 CYP11B2 (0.38) TDP1TSHRMEN1KMT2ATERT
SCHEMBL13152673 0.84 POLB (0.35) TDP1TSHRMEN1KMT2ATERT
SCHEMBL10097537 0.84 PIK3CA (0.36) TDP1MEN1KMT2ABLMALDH1A1
SCHEMBL13051524 0.83 HRH3 (0.38) LCKPIK3CAPRKDCKCNH2
SCHEMBL14466152 0.83 PRKACA (0.41) TDP1TSHRLMNACYP3A4ALDH1A1
SCHEMBL982506 0.82 TSHR (0.36) TDP1TSHRMEN1KMT2ATERT
SCHEMBL13152003 0.81 RAB9A (0.41) MEN1KMT2ALMNATP53ALDH1A1

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
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TDP1 4578/4885TSHR 4161/4885MEN1 4800/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP TDP1 3821/4885TSHR 4239/4885MEN1 4860/4885

“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.