SCHEMBL3639730

SCHEMBL3639730

CNc1cc(-n2nc(C(=O)NCCN3CCOCC3)cc2Nc2cc(NC(=O)c3ccc(-n4cccn4)nc3)ccc2C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRAF P15056 3/20 0.40
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
TNIK Q9UKE5 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK13 O15264 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK11 Q15759 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL3636570 0.92 MAPK14 (0.48) MAPK14KDM4EALDH1A1RXFP1BRAF
SCHEMBL3575462 0.86 KDM4E (0.51) MAPK14KDM4EALDH1A1RXFP1BRAF
SCHEMBL3639733 0.86 KDM4E (0.42) MAPK14KDM4EALDH1A1RXFP1BRAF
SCHEMBL3589211 0.85 BRAF (0.47) MAPK14BRAFRAF1ARAFINSR
SCHEMBL3592455 0.84 MAPK14 (0.50) MAPK14BRAFRAF1ARAF
SCHEMBL9967479 0.83 LCK (0.55) MAPK14BRAFRAF1INSRLCK
SCHEMBL13503063 0.83 MAPK14 (0.45) MAPK14BRAFRAF1ARAFMAPK11
SCHEMBL3587402 0.83 BRAF (0.46) MAPK14BRAFRAF1ARAFINSR
SCHEMBL9967492 0.83 BRAF (0.51) MAPK14BRAFRAF1ARAFINSR
SCHEMBL13503127 0.83 LCK (0.49) MAPK14BRAFRAF1ARAFINSR

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 13 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-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
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
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 MAPK14 337/4885KDM4E 1894/4885ALDH1A1 3998/4885

“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.