Sugi Predict

Sugi Predict / Compounds / SCHEMBL14829919

SCHEMBL14829919

SCHEMBL14829919

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ VNN1 O95497 2/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SRPK3 Q9UPE1 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ SLC26A3 P40879 1/20 0.37
▸ FFAR4 Q5NUL3 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
SCHEMBL14829660 0.92 HPGD (0.42) HPGDVNN1LRRK2NR4A2NPC1
SCHEMBL14829744 0.90 EGFR (0.46) HPGDLRRK2NR4A2NPC1RAB9A
SCHEMBL14829772 0.90 HPGD (0.44) HPGDLRRK2NPC1RAB9AABL1
SCHEMBL14829834 0.89 HPGD (0.47) HPGDLRRK2NPC1RAB9ACYP11B1
SCHEMBL14830041 0.87 HPGD (0.41) HPGDVNN1LRRK2NPC1RAB9A
SCHEMBL14829607 0.87 HPGD (0.41) HPGDVNN1LRRK2NPC1RAB9A
SCHEMBL14829568 0.85 MAOB (0.50) S1PR1S1PR5NR4A2MAOBMRGPRX4
SCHEMBL14830496 0.83 HPGD (0.44) HPGDLRRK2NPC1RAB9AABL1
SCHEMBL14829785 0.82 EGFR (0.49) HPGDLRRK2NPC1RAB9ACYP11B1
SCHEMBL14829484 0.82 HPGD (0.45) HPGDLRRK2NR4A2NPC1RAB9A

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 8 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-2013049174-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-A]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 444/4885VNN1 1892/4885LRRK2 1454/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF HPGD 1545/4885VNN1 2385/4885LRRK2 628/4885

“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.