SCHEMBL1521617

SCHEMBL1521617

CNc1cc2c(cn1)CN(c1cc(NC(=O)NC3CCCCC3)c(F)cc1C)C(=O)N2C(C)(C)CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.37
BRAF P15056 5/20 0.37
KRAS P01116 4/20 0.37
KDR P35968 4/20 0.37
MAP2K2 P36507 3/20 0.37
MAP2K1 Q02750 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
ARAF P10398 1/20 0.36
PARP1 P09874 1/20 0.35
TNK2 Q07912 1/20 0.34
MAP4K2 Q12851 1/20 0.34
KMT2A Q03164 1/20 0.33
EPHX2 P34913 3/20 0.33
FASN P49327 1/20 0.32
MAP4K1 Q92918 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTR7 P34969 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
SCHEMBL1521676 0.88 PARP1 (0.38) RAF1BRAFKRASKDRMAP2K2
SCHEMBL1521844 0.86 FGFR1 (0.42) RAF1BRAFKRASKDRMAP2K2
SCHEMBL1521797 0.83 TNK2 (0.37) RAF1BRAFKRASKDRMAP2K2
SCHEMBL1521841 0.83 RAF1 (0.36) RAF1BRAFKRASKDRMAP2K2
SCHEMBL1522015 0.83 BRAF (0.47) RAF1BRAFKRASKDRMAP2K2
SCHEMBL1521761 0.77 TAS1R3 (0.35) RAF1BRAFKRASKDRMAP2K2
SCHEMBL1521947 0.74 RAB9A (0.41) NPC1RAB9APOLBPARP1TNK2
SCHEMBL1521987 0.74 FGFR1 (0.43) NPC1RAB9APOLBPARP1KMT2A
SCHEMBL1521647 0.74 RAF1 (0.37) RAF1BRAFKRASKDRMAP2K2
SCHEMBL1521769 0.73 NPC1 (0.40) RAF1BRAFKRASKDRMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US claimed
US-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US disclosed
US-7897762-B2 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2011-03-01 US disclosed
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2009-04-16 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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases BRAF, PRKDC, RAF1 RAF1 3/4885BRAF 1/4885KRAS 30/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 RAF1 3/4885BRAF 1/4885KRAS 30/4885

“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.