SCHEMBL3473060

SCHEMBL3473060

C#Cc1cccc(NC(=O)O)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EGFR P00533 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 4/20 0.37
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CXCR2 P25025 1/20 0.35
GPR35 Q9HC97 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
SCHEMBL483417 0.82 GAA (0.46) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13132732 0.77 NPC1 (0.52) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL28259226 0.77 GAA (0.42) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL17398523 0.77 RIPK1 (0.49) MEN1KMT2ALMNARAB9AGPR35
SCHEMBL2089517 0.76 KMT2A (0.52) MEN1KMT2AEGFRHTTLMNA
SCHEMBL1847415 0.75 EPHX2 (0.58) MEN1KMT2AEPHX2SMN1; SMN2CA12
SCHEMBL28293555 0.74 EGFR (0.40) EGFR
SCHEMBL20577985 0.73 MEN1 (0.49) MEN1KMT2AHTTLMNATP53
SCHEMBL3415512 0.73 KMT2A (0.49) MEN1KMT2AEGFRHTTLMNA
SCHEMBL4310556 0.72 KCNQ4 (0.43) LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 US disclosed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 US disclosed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 US disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF MEN1 2873/4885KMT2A 2385/4885EGFR 410/4885

“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.