SCHEMBL2565955

SCHEMBL2565955

CC(=O)CC(=O)Nc1ccc2[nH]nc(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ ITK Q08881 6/20 0.44
▸ AURKA O14965 1/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TERT O14746 2/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TTK P33981 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.41

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
SCHEMBL4504226 0.85 KDM4E (0.48) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2572666 0.84 KDM4E (0.47) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL22453899 0.81 JAK2 (0.51) KDM4EALDH1A1ITKAURKAJAK2
SCHEMBL2567175 0.79 NTRK1 (0.53) ITKAURKAGSK3BTTK
SCHEMBL16125483 0.75 KIF11 (0.45) ALDH1A1MAPTJAK2JAK1GSK3B
SCHEMBL9505259 0.74 PARP1 (0.52) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL1152724 0.73 MAPT (0.61) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL30237615 0.73 MAPT (0.61) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL19308451 0.72 KDM4E (0.74) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2571077 0.72 ROCK2 (0.74) KDM4EMEN1ALDH1A1CYP1A2CYP2C19

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 3 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
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

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 KDM4E 708/4885MEN1 734/4885ALDH1A1 1692/4885

“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.

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