SCHEMBL10249733

SCHEMBL10249733

CCn1c(C#Cc2cccc(N)c2)c(N)c2ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HCRTR1 O43613 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GRIK2 Q13002 3/20 0.36
POLB P06746 1/20 0.35
APP P05067 1/20 0.35
GRIK1 P39086 2/20 0.34

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
SCHEMBL13152598 0.93 CA12 (0.42) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL13152163 0.90 DYRK1A (0.41) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL13152566 0.90 GRIK2 (0.43) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL10249314 0.89 DYRK1A (0.41) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL13152193 0.89 KDM4E (0.39) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL13152170 0.89 MAPT (0.41) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL10251160 0.87 APP (0.50) DYRK1AALDH1A1CYP3A4KDM4EMAPK1
SCHEMBL984838 0.87 HTT (0.43) DYRK1AALDH1A1CYP3A4KDM4EMAPK1
SCHEMBL13152568 0.87 APP (0.45) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL13152171 0.85 DYRK1A (0.40) DYRK1AALDH1A1CYP3A4KDM4EMAPK1

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 6 patents. 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 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-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

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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS DYRK1A 4872/4885ALDH1A1 563/4885CYP3A4 606/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS DYRK1A 4862/4885ALDH1A1 591/4885CYP3A4 2507/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS DYRK1A 4875/4885ALDH1A1 1497/4885CYP3A4 3086/4885

“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.