SCHEMBL6987086

SCHEMBL6987086

Cc1csc(-c2ccc3c(-c4cccnc4)csc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.48
DYRK1B Q9Y463 5/20 0.48
CYP2E1 P05181 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
DYRK2 Q92630 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
GPR35 Q9HC97 2/20 0.40
CYP17A1 P05093 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP19A1 P11511 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
Hydrochloric Acid SCHEMBL6981675 0.99 DYRK1A (0.47) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
SCHEMBL6981144 0.84 CYP17A1 (0.50) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
SCHEMBL6985848 0.84 DYRK1A (0.50) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL6986821 0.83 CYP17A1 (0.49) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
SCHEMBL17546562 0.82 DYRK1A (0.68) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
SCHEMBL6983033 0.82 CYP2A6 (0.60) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
SCHEMBL6985095 0.81 CYP11B1 (0.45) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL6989157 0.81 CYP2A6 (0.59) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL6985047 0.80 CYP11B1 (0.44) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6
SCHEMBL6985680 0.79 CYP19A1 (0.50) DYRK1ADYRK1BCYP2E1CYP3A4CYP2A6

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 4688/4885CYP2E1 72/4885

“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.