SCHEMBL10097537

SCHEMBL10097537

CCNc1ccc(-c2c(N)c3ccc(OCC)cc3n2C2CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
IDH1 O75874 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTR3A P46098 2/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
GPR35 Q9HC97 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.33

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 0.88 TDP1 (0.40) PIK3CAPRKDCMEN1KMT2ABLM
SCHEMBL13151681 0.86 LMNA (0.42) PIK3CAPRKDCMEN1KMT2APOLB
SCHEMBL13151683 0.86 PIK3CA (0.36) PIK3CAPRKDCMEN1KMT2APOLB
SCHEMBL13152132 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL13153404 0.85 PIK3CA (0.35) PIK3CAPRKDCMEN1KMT2AHTR3A
SCHEMBL980504 0.85 GAA (0.37) PIK3CAPRKDCIDH1MEN1KMT2A
SCHEMBL13051669 0.85 NCF1 (0.35) PIK3CAPRKDCHTR3AALDH1A1
SCHEMBL13152157 0.85 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPT
SCHEMBL13153363 0.85 PIK3CA (0.35) PIK3CAPRKDCMEN1KMT2AHTR3A
SCHEMBL13153362 0.85 SGK1 (0.40) PIK3CAPRKDCPOLBALDH1A1MAPT

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 PIK3CA 3705/4885PRKDC 2987/4885IDH1 1103/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PIK3CA 3367/4885PRKDC 2960/4885IDH1 2281/4885

“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.