SCHEMBL19614977

SCHEMBL19614977

C#CC#Cc1ccc2ncsc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
DYRK1A Q13627 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.38
DYRK2 Q92630 3/20 0.37
DYRK1B Q9Y463 3/20 0.37
CSNK2A2 P19784 2/20 0.37
CLK1 P49759 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
PIK3CD O00329 1/20 0.36
PRKCB P05771 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL3032150 0.82 NPC1 (0.49) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL3013600 0.76 NPC1 (0.44) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL1799071 0.74 KDM4E (0.49) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL3396673 0.74 NPC1 (0.53) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL266440 0.70 RAB9A (0.54) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL29870814 0.70 RAB9A (0.54) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL26790748 0.69 ALDH1A1 (0.45) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL13217643 0.69 GRM5 (0.55) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL13217766 0.69 NPC1 (0.50) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL20625687 0.68 TGFBR1 (0.47) NPC1RAB9AL3MBTL1KDM4ETDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 US disclosed
US-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 US disclosed
EP-3458453-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2019-03-27 EP disclosed
WO-2017198647-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-23 WO 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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES TMBIM6, BTN3A1, BET1 NPC1 790/4885RAB9A 1760/4885L3MBTL1 112/4885

“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.