SCHEMBL6984037

SCHEMBL6984037

CC(C)Nc1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
PDE7A Q13946 1/20 0.43
PTK2 Q05397 2/20 0.41
LRRK2 Q5S007 1/20 0.41
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
DYRK1A Q13627 7/20 0.40
CLK2 P49760 6/20 0.40
CLK3 P49761 6/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FLT3 P36888 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
DYRK1B Q9Y463 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
SCHEMBL6986226 0.91 FLT3 (0.47) PDE4BPDE7APTK2LRRK2MAP3K7
SCHEMBL6985231 0.84 NPC1 (0.55) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL6981144 0.79 CYP17A1 (0.50) MAP3K7TAB1DYRK1ANPC1RAB9A
SCHEMBL6985848 0.78 DYRK1A (0.50) MAP3K7TAB1DYRK1ACYP2E1CYP3A4
Hydrochloric Acid SCHEMBL6986821 0.78 CYP17A1 (0.49) MAP3K7TAB1DYRK1ANPC1RAB9A
SCHEMBL6984794 0.78 MKNK1 (0.44) PTK2MAP3K7TAB1DYRK1ANPC1
SCHEMBL6987734 0.78 MAP3K7 (0.40) PDE4BPDE7APTK2MAP3K7TAB1
SCHEMBL6984271 0.77 NPC1 (0.52) MAP3K7TAB1DYRK1ANPC1RAB9A
Hydrochloric Acid SCHEMBL6982796 0.77 MAP3K7 (0.40) PDE4BPDE7APTK2MAP3K7TAB1
Hydrochloric Acid SCHEMBL6985178 0.77 MKNK1 (0.43) PTK2MAP3K7TAB1DYRK1ANPC1

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 PDE4B 1968/4885PDE7A 1925/4885PTK2 4617/4885

“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.