Sugi Predict

Sugi Predict / Compounds / SCHEMBL14830496

SCHEMBL14830496

SCHEMBL14830496

O=C(c1ccc2ncc(-c3cccnc3)nc2c1)c1c(F)ccc(OCc2cccc(Cl)c2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ SGMS2 Q8NHU3 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ GRM5 P41594 2/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ PPIF P30405 1/20 0.40
▸ PTGER1 P34995 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL14829785 0.94 EGFR (0.49) HPGDSGMS2EGFRMRGPRX4PTGER1
SCHEMBL14829772 0.93 HPGD (0.44) HPGDSGMS2EGFRGRM5MRGPRX4
SCHEMBL14829677 0.93 HPGD (0.46) HPGDEGFRPTGER1CYP3A4CYP2C9
SCHEMBL14829660 0.91 HPGD (0.42) HPGDEGFRMRGPRX4NPC1RAB9A
SCHEMBL14829542 0.87 HPGD (0.41) HPGDEGFRMRGPRX4NPC1RAB9A
SCHEMBL14829535 0.87 HPGD (0.41) HPGDEGFRMRGPRX4PTGER1NPC1
SCHEMBL14829744 0.86 EGFR (0.46) HPGDSGMS2EGFRNPC1RAB9A
SCHEMBL14829834 0.84 HPGD (0.47) HPGDPTGER1CYP3A4CYP2C9NPC1
SCHEMBL14829662 0.84 MRGPRX4 (0.44) GRM5MRGPRX4PPIF
SCHEMBL14829678 0.84 MRGPRX4 (0.48) SGMS2MRGPRX4PPIFPTGER1NPC1

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 444/4885SGMS2 1678/4885EGFR 527/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF HPGD 1545/4885SGMS2 3750/4885EGFR 412/4885

“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.