SCHEMBL6986226

SCHEMBL6986226

CC(C)Nc1cccc(-c2ccc3c(-c4cccnc4)csc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.47
DYRK1A Q13627 7/20 0.45
CLK2 P49760 6/20 0.45
CLK3 P49761 6/20 0.45
LRRK2 Q5S007 2/20 0.43
PDE4B Q07343 1/20 0.41
PDE7A Q13946 1/20 0.41
WNT1 P04628 2/20 0.41
PTK2 Q05397 1/20 0.39
TGFBR1 P36897 1/20 0.39
BRAF P15056 3/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 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
SCHEMBL6984037 0.91 PDE4B (0.43) FLT3DYRK1ACLK2CLK3LRRK2
SCHEMBL6983318 0.85 NPC1 (0.51) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL6985848 0.83 DYRK1A (0.50) DYRK1AMAP3K7TAB1MEN1
SCHEMBL6985095 0.80 CYP11B1 (0.45) DYRK1AMAP3K7TAB1NPC1RAB9A
SCHEMBL6985509 0.80 MKNK1 (0.46) DYRK1ABRAFMAP3K7TAB1MEN1
SCHEMBL6981139 0.79 CYP3A4 (0.54) DYRK1AMAP3K7TAB1NPC1RAB9A
Hydrochloric Acid SCHEMBL6985047 0.79 CYP11B1 (0.44) DYRK1AMAP3K7TAB1NPC1RAB9A
Hydrochloric Acid SCHEMBL6979381 0.79 MKNK1 (0.45) DYRK1ABRAFMAP3K7TAB1MEN1
SCHEMBL6978941 0.78 AXL (0.59) DYRK1AMAP3K7TAB1MEN1
SCHEMBL6985821 0.78 TDO2 (0.47) DYRK1AMAP3K7TAB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130340-A1 Novel benzothiophene derivatives DAIICHI PHARMACEUTICAL CO. LTD. 2003-07-10 US disclosed
EP-1283209-A1 NOVEL BENZOTHIOPHENE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 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 (1 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-20030130340-A1 Novel benzothiophene derivatives CYP17A1, CYP21A2, HSD17B1 FLT3 2678/4885DYRK1A 4799/4885CLK2 4601/4885

“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.