Sugi Predict

Sugi Predict / Compounds / SCHEMBL16266396

SCHEMBL16266396

SCHEMBL16266396

O=C(c1cc(Cl)cc([N+](=O)[O-])c1F)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.47
▸ PAK1 Q13153 5/20 0.38
▸ KDR P35968 3/20 0.38
▸ MAP3K20 Q9NYL2 3/20 0.38
▸ MAP4K5 Q9Y4K4 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ PLK4 O00444 2/20 0.38
▸ AURKA O14965 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ FES P07332 2/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ FRK P42685 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ LIMK1 P53667 2/20 0.38
▸ MINK1 Q8N4C8 2/20 0.38
▸ HIPK4 Q8NE63 2/20 0.38
▸ AURKB Q96GD4 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
SCHEMBL25447389 0.89 BRAF (0.46) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL30376264 0.89 BRAF (0.46) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL2165161 0.84 BRAF (0.48) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL16266451 0.83 BRAF (0.50) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL16271824 0.83 BRAF (0.50) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL30376053 0.82 BRAF (0.55) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL12988326 0.82 BRAF (0.55) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL859118 0.81 BRAF (0.61) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL30376810 0.81 BRAF (0.61) BRAFPAK1KDRMAP3K20MAP4K5
SCHEMBL29771319 0.80 BRAF (0.52) BRAFPAK1KDRMAP3K20MAP4K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 — — US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 — — US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 — — US disclosed
EP-3004060-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-04-13 — — EP disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 — — US disclosed
WO-2014194127-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-12-04 — — 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 (3 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-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 46/4885PAK1 142/4885KDR 798/4885
US-10421761-B2 Compounds for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 BRAF 46/4885PAK1 142/4885KDR 798/4885
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 46/4885PAK1 142/4885KDR 798/4885

“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.