Sugi Predict

Sugi Predict / Compounds / SCHEMBL14829784

SCHEMBL14829784

SCHEMBL14829784

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.54
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B1 P14061 2/20 0.42
▸ HSD17B2 P37059 2/20 0.42
▸ EGFR P00533 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATR Q13535 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FHIT P49789 1/20 0.37
▸ ERN1 O75460 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
SCHEMBL14829549 0.89 HSD17B1 (0.54) HPGDNPC1RAB9AHSD17B1HSD17B2
SCHEMBL14829547 0.84 HPGD (0.53) HPGDNPC1RAB9AHSD17B1HSD17B2
SCHEMBL27983850 0.84 HPGD (0.68) HPGDNPC1RAB9AMAPK1KDM4E
SCHEMBL14829538 0.83 HPGD (0.53) HPGDNPC1RAB9AHSD17B1HSD17B2
SCHEMBL14829698 0.83 HPGD (0.54) HPGDNPC1RAB9AHSD17B1HSD17B2
SCHEMBL14833433 0.82 FGFR1 (0.41) HPGDNPC1RAB9AMAPK1
SCHEMBL14829696 0.82 HPGD (0.47) HPGDNPC1RAB9ACYP11B1CYP11B2
SCHEMBL14829484 0.80 HPGD (0.45) HPGDNPC1RAB9AEGFRCYP11B1
SCHEMBL14829959 0.79 NPC1 (0.53) HPGDNPC1RAB9AHSD17B1HSD17B2
SCHEMBL14715983 0.79 BRAF (0.49) HPGDNPC1RAB9A

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 444/4885NPC1 3037/4885RAB9A 1186/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF HPGD 1545/4885NPC1 4181/4885RAB9A 705/4885

“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.