SCHEMBL980504

SCHEMBL980504

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
PIK3CA P42336 2/20 0.35
PRKDC P78527 2/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 3/20 0.33
IDH1 O75874 1/20 0.33
HTR3A P46098 2/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL10096585 0.96 GAA (0.39) GAAPIK3CAPRKDCALDH1A1KDM4E
SCHEMBL982506 0.87 TSHR (0.36) PIK3CAPRKDCALDH1A1KDM4EMEN1
SCHEMBL10095651 0.87 LMNA (0.40) PIK3CAPRKDCALDH1A1MEN1KMT2A
SCHEMBL10095650 0.87 CYP11B2 (0.41) PIK3CAPRKDCALDH1A1KDM4EMEN1
SCHEMBL12105780 0.86 CYP11B2 (0.38) GAAPIK3CAPRKDCALDH1A1KDM4E
SCHEMBL10096260 0.86 MEN1 (0.40) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL10096738 0.86 PIK3CA (0.34) PIK3CAPRKDCALDH1A1KDM4EMEN1
SCHEMBL12107222 0.86 CYP11B2 (0.36) PIK3CAPRKDCALDH1A1KDM4EHPGD
SCHEMBL10096227 0.86 MRGPRX1 (0.35) PIK3CAPRKDCALDH1A1MEN1KMT2A
SCHEMBL10096737 0.86 PIK3CA (0.34) PIK3CAPRKDCALDH1A1KDM4EMEN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 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 (5 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GAA 667/4885PIK3CA 3705/4885PRKDC 2987/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS GAA 316/4885PIK3CA 2171/4885PRKDC 3732/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GAA 667/4885PIK3CA 3705/4885PRKDC 2987/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GAA 667/4885PIK3CA 3705/4885PRKDC 2987/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GAA 68/4885PIK3CA 3367/4885PRKDC 2960/4885

“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.