SCHEMBL981597

SCHEMBL981597

CCn1cc(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 2/20 0.39
MAPT P10636 2/20 0.39
PFKFB2 O60825 3/20 0.38
PFKFB1 P16118 3/20 0.38
PFKFB3 Q16875 3/20 0.38
STAT3 P40763 1/20 0.38
POLB P06746 1/20 0.37
IMPDH2 P12268 1/20 0.37
NR3C1 P04150 2/20 0.37
PGR P06401 2/20 0.37
NR3C2 P08235 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL10095398 0.88 PFKFB3 (0.48) SMN1; SMN2ARPFKFB2PFKFB1PFKFB3
SCHEMBL10193325 0.80 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL981244 0.79 PFKFB3 (0.43) SMN1; SMN2TDP1MAPTPFKFB2PFKFB1
SCHEMBL981052 0.79 MAPT (0.43) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL10095347 0.79 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL2884083 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL16729372 0.78 KIF11 (0.45) KIF11ALDH1A1MAPTKDM4EKCNA3
SCHEMBL13153386 0.77 KIF11 (0.44) KIF11ALDH1A1MAPTKDM4EKCNA3
SCHEMBL980087 0.77 MEN1 (0.47) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL981609 0.75 L3MBTL1 (0.45) SMN1; SMN2TDP1MAPTPFKFB2PFKFB1

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 42 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-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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US 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
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
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
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US 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 (8 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 KIF11 3708/4885ALDH1A1 1556/4885SMN1; SMN2 4841/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KIF11 3685/4885ALDH1A1 1497/4885SMN1; SMN2 3609/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KIF11 3250/4885ALDH1A1 563/4885SMN1; SMN2 4206/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KIF11 3319/4885ALDH1A1 591/4885SMN1; SMN2 4525/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KIF11 3685/4885ALDH1A1 1497/4885SMN1; SMN2 3609/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KIF11 3685/4885ALDH1A1 1497/4885SMN1; SMN2 3609/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS KIF11 3319/4885ALDH1A1 591/4885SMN1; SMN2 4525/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KIF11 3790/4885ALDH1A1 1067/4885SMN1; SMN2 4565/4885

“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.