SCHEMBL21589409

SCHEMBL21589409

Cc1ccc(-c2csc(NC(=O)CBr)n2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PI4KB Q9UBF8 2/20 0.60
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 4/20 0.56
KDM4E B2RXH2 3/20 0.56
ABL1 P00519 1/20 0.56
POLB P06746 1/20 0.56
HDAC8 Q9BY41 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL21484876 0.83 ABL1 (0.59) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4408658 0.80 PI4KB (0.57) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16434538 0.80 HDAC1 (0.60) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4420194 0.80 HDAC1 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL838537 0.77 SMN1; SMN2 (0.61) MAPTALDH1A1SMN1; SMN2PI4KBNPC1
SCHEMBL2452315 0.77 ELOVL1 (0.72) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4408570 0.76 GAA (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4416778 0.76 RAB9A (0.63) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL480758 0.75 MAPT (0.71) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21586296 0.75 KMT2A (0.74) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-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
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 MAPT 4587/4885ALDH1A1 4380/4885MEN1 1529/4885
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2B MAPT 4587/4885ALDH1A1 4380/4885MEN1 1529/4885

“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.