SCHEMBL6189469

SCHEMBL6189469

O=C(CBr)c1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.69
KCNK9 Q9NPC2 5/20 0.69
KMT2A Q03164 7/20 0.62
MEN1 O00255 5/20 0.62
TP53 P04637 1/20 0.62
SIRT1 Q96EB6 1/20 0.61
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.59
HPGD P15428 1/20 0.59
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL28050059 0.87 GSK3B (0.55) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL6346822 0.85 KCNK3 (0.71) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL8980369 0.84 KCNK3 (0.69) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL3066613 0.83 KMT2A (0.66) KMT2AMEN1SIRT1RAB9ANPC1
SCHEMBL2298254 0.82 KCNK3 (1.00) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL5628492 0.82 HDAC3 (0.57) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL679144 0.81 KMT2A (0.90) KCNK3KCNK9KMT2AMEN1TP53
Hydrochloric Acid SCHEMBL2106175 0.80 KMT2A (0.87) KCNK3KCNK9KMT2AMEN1TP53
SCHEMBL7500312 0.80 KMT2A (0.84) KCNK3KCNK9KMT2AMEN1SIRT1
SCHEMBL7745302 0.80 KCNK3 (0.79) KCNK3KCNK9KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181283-B1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMA (US) 2005-02-02 EP disclosed
US-6620828-B2 Antiproliferative agents AGOURON PHARMACEUTICALS, INC. 2003-09-16 US disclosed
US-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-1181283-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-27 EP disclosed
WO-2000075120-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-14 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-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use BRAF, CDK2, CHUK KCNK3 3133/4885KCNK9 3992/4885KMT2A 4434/4885

“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.