SCHEMBL10096403

SCHEMBL10096403

CCCn1c(-c2ccc(NC(=O)NC(C)CC)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.41
ADORA2B P29275 3/20 0.40
ADORA2A P29274 2/20 0.40
RAB9A P51151 2/20 0.40
FPR2 P25090 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ANPEP P15144 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL10095996 0.93 ADORA2B (0.41) ALDH1A1PKMADORA2BADORA2ARAB9A
SCHEMBL10095909 0.88 CNR2 (0.40) ALDH1A1PKMADORA2BADORA2AMAPT
SCHEMBL10095797 0.88 MTNR1B (0.47) ALDH1A1ADORA2BADORA2ARAB9AMAPT
SCHEMBL10097495 0.87 ALDH1A1 (0.47) ALDH1A1PKMADORA2BADORA2ARAB9A
SCHEMBL10095979 0.86 ADORA2B (0.40) ALDH1A1ADORA2BADORA2ARAB9AMAPT
SCHEMBL10095809 0.86 NPC1 (0.47) ADORA2BADORA2ARAB9AMAPTMEN1
SCHEMBL10096739 0.86 PFKFB2 (0.43) ALDH1A1PKMADORA2BADORA2ARAB9A
SCHEMBL10095993 0.85 KDR (0.42) PKMMAPTMETKDRSMN1; SMN2
SCHEMBL10096374 0.85 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10095796 0.84 MTNR1B (0.44) ALDH1A1ADORA2BADORA2ARAB9AMEN1

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 17 patents. 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-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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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-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
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 (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ALDH1A1 563/4885PKM 3828/4885ADORA2B 1205/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885PKM 3543/4885ADORA2B 2015/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885PKM 3543/4885ADORA2B 2015/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885PKM 4485/4885ADORA2B 2903/4885

“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.