SCHEMBL3021170

SCHEMBL3021170

CNc1cc(-n2ncnc2Nc2cc(NC(=O)Nc3cc(CN4CCCC4)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.49
KDR P35968 1/20 0.46
MAPK14 Q16539 1/20 0.46
TNNI3K Q59H18 1/20 0.46

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
SCHEMBL3018391 0.94 CSF1R (0.47) BRAFKDRMAPK14TNNI3K
SCHEMBL3589848 0.89 BRAF (0.49) BRAFKDRMAPK14TNNI3K
SCHEMBL3016479 0.87 KDR (0.46) BRAFKDRMAPK14TNNI3K
SCHEMBL3021402 0.85 KDR (0.53) BRAFKDRMAPK14TNNI3K
SCHEMBL3017721 0.84 KDR (0.56) BRAFKDRMAPK14TNNI3K
SCHEMBL3590706 0.83 CSF1R (0.47) BRAFKDRMAPK14TNNI3K
SCHEMBL3018597 0.83 CSF1R (0.46) BRAFKDR
SCHEMBL13267928 0.82 BRAF (0.51) BRAFKDRMAPK14TNNI3K
SCHEMBL3009045 0.82 BRAF (0.47) BRAF
SCHEMBL3003623 0.82 BRAF (0.58) BRAFKDRMAPK14TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US claimed
EP-2170867-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2010-04-07 EP claimed
WO-2008157131-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-12-24 WO claimed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US disclosed
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US disclosed
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US disclosed
EP-2170867-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2010-04-07 EP disclosed
WO-2008157131-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-12-24 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 (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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 BRAF 4340/4885KDR 4528/4885MAPK14 3249/4885
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof BMX, FRK, FYN BRAF 33/4885KDR 182/4885MAPK14 603/4885

“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.