SCHEMBL6985154

SCHEMBL6985154

c1cncc(-c2csc3cc(N4CCOCC4)ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
IRAK4 Q9NWZ3 2/20 0.50
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
PTK2 Q05397 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PLOD2 O00469 1/20 0.45
PLOD3 O60568 1/20 0.45
PLOD1 Q02809 1/20 0.45
RPS6KA3 P51812 2/20 0.44
PRKDC P78527 1/20 0.44
LRRK2 Q5S007 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHEK1 O14757 1/20 0.44

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
Hydrochloric Acid SCHEMBL6988005 0.99 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGIRAK4CLK1
SCHEMBL27845768 0.76 AR (0.72) PIK3CAPIK3CBPIK3CGIRAK4DYRK1A
SCHEMBL6985848 0.76 DYRK1A (0.50) PIK3CAPIK3CGDYRK1ACYP1A2ALDH1A1
SCHEMBL17801770 0.74 APP (0.57) PIK3CAIRAK4CYP1A1CYP1A2CYP1B1
SCHEMBL6984271 0.74 NPC1 (0.52) DYRK1ACYP1A2ALDH1A1
SCHEMBL6985095 0.73 CYP11B1 (0.45) PIK3CADYRK1AALDH1A1
SCHEMBL6981144 0.73 CYP17A1 (0.50) DYRK1ASMN1; SMN2TP53
SCHEMBL6986136 0.73 CYP11B1 (0.48) DYRK1ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL6984570 0.73 MAP3K7 (0.50) PIK3CADYRK1ACYP1A2ALDH1A1HTT
Hydrochloric Acid SCHEMBL6985047 0.72 CYP11B1 (0.44) PIK3CADYRK1AALDH1A1

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 PIK3CA 2469/4885PIK3CB 2635/4885PIK3CG 3414/4885

“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.