SCHEMBL2260820

SCHEMBL2260820

O=c1nn[nH]c2cccc(B(O)O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ RGS12 O14924 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ GAK O14976 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ RPS6KA5 O75582 1/20 0.32
▸ STK16 O75716 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10882635 0.77 MAPK1 (0.41) KDM4EMEN1CDC7PLK4CHEK1
SCHEMBL6610265 0.77 IMPDH2 (0.39) KDM4EMEN1CDC7PLK4CHEK1
SCHEMBL20479976 0.75 ENPP2 (0.31) —
SCHEMBL11841387 0.74 ALDH1A1 (0.39) KDM4EMEN1CDC7PLK4CHEK1
SCHEMBL10881189 0.74 GAA (0.49) CHEK1TTKDYRK1A
SCHEMBL23668600 0.70 MAPK1 (0.41) KDM4EMEN1CDC7PLK4CHEK1
SCHEMBL29955319 0.70 MAPK1 (0.41) KDM4EMEN1CDC7PLK4CHEK1
SCHEMBL62421 0.70 KDR (0.38) KDM4EMEN1CDC7PLK4CHEK1
SCHEMBL29956588 0.70 MAP2K4 (0.36) KDM4EMEN1CDC7PLK4CHEK1
SCHEMBL20571471 0.69 GAA (0.56) KDM4EPLK4AURKAPDPK1DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 — — US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 — — EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 — — EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 — — EP disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 — — US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 — — US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 — — 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 (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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS KDM4E 1845/4885MEN1 952/4885CDC7 624/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 KDM4E 1653/4885MEN1 951/4885CDC7 667/4885

“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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