SCHEMBL2569734

SCHEMBL2569734

O=C(CC(=O)c1ccco1)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.63
WNT3A P56704 1/20 0.63
ROCK2 O75116 8/20 0.57
ROCK1 Q13464 8/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPC1 O15118 2/20 0.53
JAK2 O60674 1/20 0.53
RAB9A P51151 1/20 0.53
P2RX7 Q99572 1/20 0.52
TMIGD3 P0DMS9 1/20 0.50
ADORA1 P30542 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL9348553 0.81 NPC1 (0.72) CTNNB1WNT3AROCK2ROCK1MEN1
SCHEMBL7157617 0.80 RAB9A (0.59) CTNNB1WNT3AROCK2ROCK1MEN1
SCHEMBL2571077 0.77 ROCK2 (0.74) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL15968430 0.77 CTNNB1 (1.00) CTNNB1WNT3AROCK2ROCK1KMT2A
SCHEMBL5623135 0.77 NPC1 (0.55) CTNNB1WNT3AROCK2ROCK1MEN1
SCHEMBL17593781 0.76 PSMB8 (0.62) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL14129904 0.76 MAPT (0.56) CTNNB1WNT3AROCK2ROCK1MEN1
SCHEMBL17776529 0.76 ROCK2 (0.71) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL4577230 0.76 ROCK2 (0.67) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL17594115 0.75 MEN1 (0.67) ROCK2ROCK1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633740-B1 5-(ACYLAMINO)INDAZOLE DERIVATIVES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-09 EP disclosed
EP-1633740-B1 5-(ACYLAMINO)INDAZOLE DERIVATIVES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-09 EP disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US 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-20070099944-A1 Chemical compounds ROCK1, ROCK2, CIT CTNNB1 2145/4885WNT3A 3801/4885ROCK2 2/4885

“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.