SCHEMBL3590161

SCHEMBL3590161

CNc1cc(-n2nc(CN3CCOCC3)cc2Nc2cc(C(N)=O)ccc2C)ncn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.43
CHUK O15111 3/20 0.41
MAPK8 P45983 3/20 0.41
CAMKK2 Q96RR4 3/20 0.41
INSR P06213 2/20 0.40
RAF1 P04049 1/20 0.38
ARAF P10398 1/20 0.38
MAPK14 Q16539 6/20 0.38
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
RAB9A P51151 1/20 0.37
METTL3 Q86U44 2/20 0.37
JAK2 O60674 1/20 0.36

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
SCHEMBL3590168 0.87 BRAF (0.36) BRAFMAPK14METTL3
SCHEMBL3588927 0.83 BRAF (0.49) BRAFRAF1ARAFMAPK14
SCHEMBL9967476 0.83 BRAF (0.48) BRAFINSRRAF1ARAFMAPK14
SCHEMBL14218735 0.82 BRAF (0.38) BRAFRAF1ARAFMAPK14
SCHEMBL9967519 0.82 BRAF (0.51) BRAFRAF1ARAFMAPK14
SCHEMBL3584346 0.81 AURKA (0.42) BRAFCHUKMAPK8CAMKK2INSR
SCHEMBL3594677 0.81 MAPT (0.47) BRAFMAPK14JAK2
SCHEMBL13503061 0.81 BRAF (0.50) BRAFRAF1ARAFMAPK14EGFR
SCHEMBL3579677 0.81 CYP1A2 (0.47) BRAFINSRMAPK14
SCHEMBL9970889 0.81 BRAF (0.51) BRAFCHUKMAPK8CAMKK2INSR

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
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK BRAF 11/4885CHUK 140/4885MAPK8 388/4885

“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.