SCHEMBL1521676

SCHEMBL1521676

CNc1cc2c(cn1)CN(c1ccc(F)c(NC(=O)NC3CCCCC3)c1)C(=O)N2C(C)(C)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
EPHX2 P34913 5/20 0.36
POLB P06746 1/20 0.36
BRAF P15056 4/20 0.35
KRAS P01116 3/20 0.35
RAF1 P04049 3/20 0.35
KDR P35968 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33

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
SCHEMBL1521617 0.88 RAF1 (0.37) PARP1NPC1RAB9AKMT2AEPHX2
SCHEMBL1521947 0.87 RAB9A (0.41) PARP1NPC1RAB9AKMT2AEPHX2
SCHEMBL1521987 0.86 FGFR1 (0.43) PARP1NPC1RAB9AKMT2AEPHX2
SCHEMBL29894322 0.86 NPC1 (0.40) PARP1NPC1RAB9AKMT2AEPHX2
SCHEMBL1521769 0.86 NPC1 (0.40) PARP1NPC1RAB9AKMT2AEPHX2
SCHEMBL1522057 0.85 NPC1 (0.39) PARP1NPC1RAB9AKMT2AEPHX2
SCHEMBL1521836 0.83 KDR (0.34) BRAFKRASRAF1KDRMAP2K2
SCHEMBL1521556 0.82 BRAF (0.52) BRAFKRASRAF1KDRALDH1A1
SCHEMBL1521844 0.74 FGFR1 (0.42) PARP1NPC1RAB9AKMT2AEPHX2
SCHEMBL1521899 0.74 BRAF (0.52) BRAFKRASRAF1KDRALDH1A1

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 PARP1 392/4885NPC1 4287/4885RAB9A 1244/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 PARP1 392/4885NPC1 4287/4885RAB9A 1244/4885

“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.