SCHEMBL6501754

SCHEMBL6501754

CSc1ccc(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccncc3)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS2 P35354 1/20 0.46
MCL1 Q07820 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK13 O15264 4/20 0.39
MAPK12 P53778 4/20 0.39
MAPK11 Q15759 4/20 0.39
GCGR P47871 3/20 0.39

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
SCHEMBL6504993 0.86 MAPK14 (0.54) MAPK14PTGS2MAPK13MAPK12MAPK11
SCHEMBL3889529 0.85 MAPK14 (0.69) MAPK14PTGS2MAPK13MAPK12MAPK11
SCHEMBL6283030 0.84 MAPK14 (0.49) MAPK14MAPTALDH1A1MEN1LMNA
SCHEMBL6283027 0.82 MAPK14 (0.50) MAPK14MAPTALDH1A1MEN1LMNA
SCHEMBL7832748 0.82 PTGS2 (0.66) MAPK14PTGS2MAPK13MAPK12MAPK11
SCHEMBL6505614 0.82 PTGS2 (0.66) MAPK14PTGS2MAPK13MAPK12MAPK11
SCHEMBL6505966 0.82 PTGS2 (0.50) MAPK14MAPTALDH1A1LMNAPTGS2
SCHEMBL6279896 0.81 PTGS2 (0.51) MAPK14MAPTALDH1A1LMNAKMT2A
SCHEMBL6503440 0.81 MAPK14 (0.76) MAPK14PTGS2
SCHEMBL6505328 0.81 MAPK14 (0.51) MAPK14MAPTALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885MAPT 2844/4885ALDH1A1 3345/4885
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 MAPK14 2771/4885MAPT 2275/4885ALDH1A1 1598/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPK14 29/4885MAPT 2113/4885ALDH1A1 3292/4885

“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.