SCHEMBL6985848

SCHEMBL6985848

c1cncc(-c2ccc3c(-c4cccnc4)csc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
DYRK1B Q9Y463 3/20 0.50
PIK3CA P42336 3/20 0.48
PIK3CD O00329 1/20 0.48
PIP5K1C O60331 1/20 0.48
PI4KA P42356 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
CYP2A6 P11509 4/20 0.47
CYP3A4 P08684 3/20 0.47
LIMK1 P53667 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
DYRK2 Q92630 1/20 0.47
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
MAP3K7 O43318 1/20 0.46
TAB1 Q15750 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP2C9 P11712 2/20 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
SCHEMBL6985095 0.94 CYP11B1 (0.45) DYRK1ADYRK1BPIK3CAPIK3CDPIP5K1C
Hydrochloric Acid SCHEMBL6985047 0.93 CYP11B1 (0.44) DYRK1ADYRK1BPIK3CAPIK3CDPIP5K1C
SCHEMBL6985680 0.91 CYP19A1 (0.50) DYRK1ADYRK1BPIK3CAPIK3CDPIP5K1C
SCHEMBL6981139 0.90 CYP3A4 (0.54) DYRK1ADYRK1BPIK3CAPIK3CDCYP3A4
SCHEMBL6985775 0.90 MAPT (0.55) DYRK1ADYRK1BPIK3CAPIK3CDPIP5K1C
SCHEMBL6989142 0.90 CYP17A1 (0.50) DYRK1ADYRK1BPIK3CAPIK3CDPIP5K1C
Hydrochloric Acid SCHEMBL6987641 0.89 CYP17A1 (0.52) DYRK1ADYRK1BCYP3A4LIMK1ALDH1A1
SCHEMBL6983734 0.89 CYP2A6 (0.59) DYRK1ADYRK1BPIK3CAPIK3CDPIP5K1C
SCHEMBL6978941 0.89 AXL (0.59) DYRK1ADYRK1BPIK3CAPIK3CDPIP5K1C
SCHEMBL6985821 0.89 TDO2 (0.47) DYRK1ADYRK1BCYP3A4LIMK1CYP1A2

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 DYRK1A 4799/4885DYRK1B 4688/4885PIK3CA 2469/4885

“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.