SCHEMBL14829484

SCHEMBL14829484

O=C(c1ccc2ncc(-c3cccnc3)nc2c1)c1c(F)c(F)cc(OCc2cccc(F)c2)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
LRRK2 Q5S007 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATR Q13535 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NR4A2 P43354 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
MAOB P27338 2/20 0.37
PARP10 Q53GL7 1/20 0.37
NAMPT P43490 2/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL14829696 0.92 HPGD (0.47) HPGDLRRK2CYP11B1CYP11B2NPC1
SCHEMBL14829744 0.92 EGFR (0.46) HPGDEGFRSGMS2LRRK2CYP11B1
SCHEMBL14829534 0.87 SGMS2 (0.50) HPGDEGFRSGMS2LRRK2CYP11B1
SCHEMBL14829785 0.87 EGFR (0.49) HPGDEGFRSGMS2LRRK2CYP11B1
SCHEMBL14829541 0.84 MAOB (0.48) HPGDSGMS2NPC1RAB9ANR4A2
SCHEMBL14829611 0.84 SGMS2 (0.49) HPGDEGFRSGMS2LRRK2CYP11B1
SCHEMBL14829772 0.84 HPGD (0.44) HPGDEGFRSGMS2LRRK2CYP11B1
SCHEMBL14829767 0.84 SGMS2 (0.49) HPGDEGFRSGMS2LRRK2CYP11B1
SCHEMBL14829834 0.83 HPGD (0.47) HPGDLRRK2CYP11B1CYP11B2NPC1
SCHEMBL14829919 0.82 HPGD (0.43) HPGDEGFRLRRK2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249111-B2 Substituted quinoxalines as B-RAF kinase inhibitors NEUPHARMA, INC. (US) 2016-02-02 US claimed
US-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2014-11-20 US claimed
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 WO claimed
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS NEUPHARMA, INC. 2017-02-23 US disclosed
US-9249111-B2 Substituted quinoxalines as B-RAF kinase inhibitors NEUPHARMA, INC. (US) 2016-02-02 US disclosed
US-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2014-11-20 US disclosed
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 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-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, RAF1 HPGD 444/4885EGFR 527/4885SGMS2 1678/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF HPGD 1545/4885EGFR 412/4885SGMS2 3750/4885

“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.