SCHEMBL5208655

SCHEMBL5208655

COc1ccc2cc(C(=O)O)c(-c3cccc(NC(C)=O)c3N)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL5208343 0.74 ALDH1A1 (0.53) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL5208644 0.73 TACR3 (0.43) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL5210533 0.73 IDO1 (0.48) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL5205165 0.72 KDM4E (0.49) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL5208260 0.72 PARP1 (0.46) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL6361641 0.70 AKR1C3 (0.65) PKMMEN1KMT2AAKR1C3AKR1C2
SCHEMBL9041717 0.70 STK33 (0.47) DYRK1AMAPTSMN1; SMN2TP53NPC1
SCHEMBL2945200 0.68 ALDH1A1 (0.67) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7064360 0.68 KDM4E (0.52) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31055812 0.68 KDM4E (0.52) MAPTSMN1; SMN2NPC1RAB9AMEN1

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-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP disclosed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US disclosed
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases HIPK3, HIPK1, HYPK DYRK1A 139/4885MAPT 1202/4885SMN1; SMN2 2020/4885

“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.