SCHEMBL21586315

SCHEMBL21586315

COc1cccc(-c2csc(NC(=O)CBr)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.74
▸ NPC1 O15118 2/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ HTT P42858 2/20 0.74
▸ HPGD P15428 1/20 0.74
▸ SMN1; SMN2 Q16637 1/20 0.74
▸ HSD17B10 Q99714 1/20 0.74
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ CYP3A4 P08684 8/20 0.64
▸ ROCK1 Q13464 6/20 0.64
▸ PRKACA P17612 2/20 0.64
▸ ATP4A P20648 2/20 0.61
▸ ATP4B P51164 2/20 0.61
▸ CSNK2A1 P68400 1/20 0.60
▸ APP P05067 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ THRB P10828 1/20 0.58

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
SCHEMBL10923238 0.87 ALDH1A1 (0.83) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL10809915 0.87 MEN1 (0.86) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL4420956 0.84 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL11137552 0.83 ALDH1A1 (0.78) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL10288914 0.83 MEN1 (0.65) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL21586314 0.83 ABL1 (0.70) ALDH1A1MEN1KMT2AROCK1PRKACA
SCHEMBL2754062 0.82 MAPT (0.83) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL1822075 0.81 ALDH1A1 (0.77) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL2753867 0.81 ADORA3 (0.80) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL2452315 0.81 ELOVL1 (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors FORSCHUNGSVERBUND BERLIN E.V. (DE) 2025-03-11 — — US disclosed
EP-3802530-B1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN EV (DE) 2024-05-29 — — EP disclosed
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2022-10-20 — — US disclosed
EP-3802530-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS Forschungsverbund Berlin E.V. (DE) 2021-04-14 — — EP disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 — — WO disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 — — 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 (2 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-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors PIK3CA, PIK3CD, PIK3C2B ALDH1A1 4380/4885NPC1 3757/4885RAB9A 1085/4885
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2B ALDH1A1 4380/4885NPC1 3757/4885RAB9A 1085/4885

“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.

Send feedback