SCHEMBL982356

SCHEMBL982356

COc1ccc2c(C#N)c(C)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 6/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TUBB1 Q9H4B7 1/20 0.47
DYRK1A Q13627 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 4/20 0.47
CLK1 P49759 3/20 0.47
CLK2 P49760 3/20 0.47
CLK3 P49761 3/20 0.47
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
DYRK1B Q9Y463 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTR6 P50406 3/20 0.47
MAOA P21397 3/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL5838270 0.87 ALDH1A1 (0.59) KDM4EALDH1A1RXFP1TUBB1HSD17B10
SCHEMBL23885417 0.84 NSD2 (0.48) KDM4EALDH1A1RXFP1DYRK1AHSD17B10
SCHEMBL30254651 0.84 NSD2 (0.48) KDM4EALDH1A1RXFP1DYRK1AHSD17B10
SCHEMBL23676484 0.81 KDM4E (0.47) KDM4EALDH1A1RXFP1DYRK1AHSD17B10
SCHEMBL10097344 0.81 MAOA (0.51) KDM4EALDH1A1RXFP1TUBB1DYRK1A
SCHEMBL16695703 0.80 KDM4E (0.54) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL7256875 0.79 ALDH1A1 (0.50) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL10097356 0.79 ALDH1A1 (0.53) KDM4EALDH1A1TUBB1DYRK1AHSD17B10
SCHEMBL5196745 0.79 KDM4E (0.59) KDM4EALDH1A1RXFP1TUBB1DYRK1A
SCHEMBL10193365 0.79 KIF11 (0.48) KDM4EALDH1A1RXFP1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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
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
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP 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
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KDM4E 3422/4885ALDH1A1 563/4885RXFP1 3992/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KDM4E 3703/4885ALDH1A1 591/4885RXFP1 3777/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885ALDH1A1 1497/4885RXFP1 3340/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885ALDH1A1 1497/4885RXFP1 3340/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS KDM4E 3703/4885ALDH1A1 591/4885RXFP1 3777/4885

“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.