SCHEMBL2881346

SCHEMBL2881346

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PPARG P37231 9/20 0.37
PPARA Q07869 6/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
TRPA1 O75762 1/20 0.36
GCGR P47871 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 2/20 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
SCHEMBL2879121 0.89 PARP10 (0.38) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL2881153 0.88 GRIK2 (0.47) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL2876698 0.87 PARP10 (0.47) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL982387 0.87 TRPA1 (0.39) SCN5ASCN9ATRPA1KDM4EMEN1
SCHEMBL2878941 0.85 ALDH1A1 (0.40) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL10096208 0.85 PFKFB1 (0.41) MEN1KMT2ACYP1A2
SCHEMBL10096182 0.84 PFKFB2 (0.41) KDM4EKMT2APTGER4
SCHEMBL10096212 0.84 PFKFB2 (0.44) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL10096211 0.84 PFKFB2 (0.41) ABL1KMT2APTGER4
SCHEMBL10095288 0.83 GRIK2 (0.49) SCN5ASCN9ATRPA1KDM4EMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP 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
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 SLC6A2 4806/4885SLC6A4 4772/4885ABL1 770/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SLC6A2 4806/4885SLC6A4 4772/4885ABL1 770/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SLC6A2 4806/4885SLC6A4 4772/4885ABL1 770/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS SLC6A2 4806/4885SLC6A4 4772/4885ABL1 770/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS SLC6A2 4806/4885SLC6A4 4772/4885ABL1 770/4885

“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.