SCHEMBL6981144

SCHEMBL6981144

Cc1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.50
CYP2A6 P11509 6/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2E1 P05181 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2B6 P20813 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAP2K4 P45985 1/20 0.47
GPR35 Q9HC97 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MAP3K7 O43318 1/20 0.45
TAB1 Q15750 1/20 0.45
GAA P10253 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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 SCHEMBL6986821 0.99 CYP17A1 (0.49) CYP17A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL6985848 0.85 DYRK1A (0.50) CYP17A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL6987086 0.84 DYRK1A (0.48) CYP17A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL6984271 0.84 NPC1 (0.52) CYP17A1CYP2A6CYP3A4CYP2E1CYP2C9
Hydrochloric Acid SCHEMBL6981675 0.83 DYRK1A (0.47) CYP17A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL6982292 0.82 MAP3K7 (0.41) CYP17A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL6984570 0.82 MAP3K7 (0.50) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL6986136 0.82 CYP11B1 (0.48) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL6985095 0.82 CYP11B1 (0.45) CYP17A1CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL6981655 0.82 KDM4E (0.55) CYP17A1CYP3A4CYP2C9NPC1MAPT

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 CYP17A1 1/4885CYP2A6 110/4885CYP3A4 88/4885

“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.