SCHEMBL3584356

SCHEMBL3584356

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)OC(C)(C)C)ccc2C)ncn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MAPK10 P53779 2/20 0.41
LMNA P02545 1/20 0.41
SLC34A1 Q06495 4/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 4/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MAP4K4 O95819 1/20 0.36
BRAF P15056 4/20 0.36
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3015190 0.85 MAPK14 (0.37) MAPK14CA12CA1CA9MAP4K4
SCHEMBL9970921 0.82 BRAF (0.51) MAPTMAPK10MAPK14MAP4K4BRAF
SCHEMBL3591990 0.81 KDR (0.54) MAPK14BRAFKDRKMT2A
SCHEMBL3584634 0.81 BRAF (0.41) MAPTMAPK10LMNAMAPK14BRAF
SCHEMBL3594934 0.81 LMNA (0.48) LMNAALDH1A1MAPK14BRAF
SCHEMBL3583992 0.81 BRAF (0.46) MAPK14BRAFLCKLYNHCK
SCHEMBL3598049 0.81 MAPK14 (0.47) LMNAMAPK14BRAF
SCHEMBL3594891 0.81 LCK (0.47) BRAFLCKLYNHCKSRC
SCHEMBL3583144 0.81 BRAF (0.42) MAPK14BRAFLCKLYNHCK
SCHEMBL9967418 0.80 LCK (0.51) MAPTMAPK14BRAFLCKLYN

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 disclosed
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
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
US-20090002820-A1 Antireflection Film, Manufacturing Method of Antireflection Film, Hard Coat Film, Polarizing Plate and Display KONICA MINOLTA OPTO, INC. (JP) 2009-01-01 US disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO 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 MAPT 1174/4885MAPK10 277/4885LMNA 3788/4885

“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.