SCHEMBL10095459

SCHEMBL10095459

CCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR1 P21453 2/20 0.34
KIF11 P52732 2/20 0.34
KDM1A O60341 4/20 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
SCHEMBL10096294 0.88 KIF11 (0.38) METAP2CYP2C19S1PR1KIF11KDM1A
SCHEMBL10096296 0.88 PTGDR2 (0.43) METAP2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10097259 0.87 KIF11 (0.39) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL10095454 0.86 AR (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10095456 0.86 KIF11 (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10096292 0.85 S1PR1 (0.36) METAP2CYP2C19S1PR1KIF11KDM1A
SCHEMBL10096291 0.85 S1PR1 (0.36) KDM4EMAPTS1PR1KDM1ACTSK
SCHEMBL10095453 0.84 GRIK2 (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10097261 0.84 AR (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10096295 0.84 S1PR1 (0.36) CYP2C19S1PR1KIF11KDM1ACTSK

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 13 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 METAP2 156/4885ALDH1A1 1556/4885KDM4E 433/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS METAP2 54/4885ALDH1A1 591/4885KDM4E 3703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP METAP2 19/4885ALDH1A1 1067/4885KDM4E 4208/4885

“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.