SCHEMBL16396309

SCHEMBL16396309

COC(=O)c1cc2nc(Br)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
DYRK1A Q13627 3/20 0.43
HDAC1 Q13547 1/20 0.43
PTPN2 P17706 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK1 P49759 2/20 0.41
CLK2 P49760 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PPARA Q07869 1/20 0.40
ADORA1 P30542 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL31215720 1.00 ALDH1A1 (0.44) ALDH1A1DYRK1AHDAC1PTPN2HPGD
SCHEMBL16395924 0.84 BCL2L1 (0.47) DYRK1APTPN2RAB9ANPC1SMN1; SMN2
SCHEMBL16395974 0.82 ALDH1A1 (0.44) ALDH1A1DYRK1AHDAC1HPGDRAB9A
SCHEMBL30799296 0.82 KDM4E (0.44) ALDH1A1DYRK1AHDAC1HPGDRAB9A
SCHEMBL25216820 0.79 ALDH1A1 (0.46) ALDH1A1DYRK1AHDAC1HPGDRAB9A
SCHEMBL13133309 0.77 ESR2 (0.44) ALDH1A1DYRK1AHPGDRAB9ANPC1
SCHEMBL31207862 0.77 ALDH1A1 (0.47) ALDH1A1HDAC1PTPN2HPGDRAB9A
SCHEMBL26109992 0.77 ALDH1A1 (0.47) ALDH1A1HDAC1PTPN2HPGDRAB9A
SCHEMBL25238575 0.76 MAPT (0.43) ALDH1A1DYRK1AHDAC1HPGDRAB9A
SCHEMBL16395962 0.76 MEN1 (0.46) ALDH1A1DYRK1AHDAC1HPGDRAB9A

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
WO-2024238406-A1 FUROPYRIDINE COMPOUNDS AS P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-11-21 WO disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A ALDH1A1 1646/4885DYRK1A 2468/4885HDAC1 144/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ALDH1A1 1646/4885DYRK1A 2468/4885HDAC1 144/4885

“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.