Sugi Predict

Sugi Predict / Compounds / SCHEMBL14829696

SCHEMBL14829696

SCHEMBL14829696

O=C(c1ccc2ncc(-c3cccnc3)nc2c1)c1c(F)c(F)cc(OCc2ccccc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.47
▸ CYP11B1 P15538 6/20 0.47
▸ CYP11B2 P19099 6/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP19A1 P11511 3/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ ADAM17 P78536 1/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL14829484 0.92 HPGD (0.45) HPGDCYP11B1CYP11B2NPC1RAB9A
SCHEMBL14829834 0.91 HPGD (0.47) HPGDCYP11B1CYP11B2NPC1RAB9A
SCHEMBL14833115 0.87 NPC1 (0.43) HPGDNPC1RAB9ALRRK2
SCHEMBL14829677 0.86 HPGD (0.46) HPGDCYP11B1CYP11B2NPC1RAB9A
SCHEMBL14829896 0.86 CYP11B1 (0.49) HPGDCYP11B1CYP11B2NPC1RAB9A
SCHEMBL14829961 0.85 HPGD (0.46) HPGDCYP11B1CYP11B2NPC1RAB9A
SCHEMBL14829744 0.83 EGFR (0.46) HPGDCYP11B1CYP11B2NPC1RAB9A
SCHEMBL14829714 0.83 NPC1 (0.41) HPGDNPC1RAB9AKDM4EMEN1
SCHEMBL14829772 0.83 HPGD (0.44) HPGDCYP11B1CYP11B2NPC1RAB9A
SCHEMBL14829784 0.82 HPGD (0.54) HPGDCYP11B1CYP11B2NPC1RAB9A

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 444/4885CYP11B1 547/4885CYP11B2 701/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF HPGD 1545/4885CYP11B1 3584/4885CYP11B2 3781/4885

“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.