SCHEMBL10193545

SCHEMBL10193545

CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(C)cc3n2CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
F2R P25116 1/20 0.39
IMPDH2 P12268 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL980454 0.92 MAPK1 (0.42) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL981888 0.91 MAPK1 (0.48) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL10095755 0.89 MAPK1 (0.42) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL10193404 0.89 CYP1A2 (0.41) MAPK1LMNAHSD17B10EGFRALDH1A1
SCHEMBL10097304 0.88 MAPK1 (0.44) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL10095626 0.87 MAPK1 (0.43) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL10095678 0.87 MAPK1 (0.43) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL12489640 0.86 MAPK1 (0.42) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL10095614 0.86 ALDH1A1 (0.43) MAPK1LMNAMAPTHSD17B10EGFR
SCHEMBL10095681 0.85 GRIK2 (0.49) MAPK1LMNAMAPTHSD17B10ALDH1A1

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 3 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
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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 (2 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 MAPK1 4616/4885LMNA 1241/4885MAPT 3547/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPK1 4384/4885LMNA 3101/4885MAPT 4416/4885

“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.