Sugi Predict

Sugi Predict / Compounds / SCHEMBL4811162

SCHEMBL4811162

SCHEMBL4811162

O=[N+]([O-])c1ccc(Oc2ncnn3cc(-c4ccnc(N5CCOCC5)c4)cc23)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ LRRK2 Q5S007 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KIT P10721 2/20 0.35

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
SCHEMBL4820645 0.86 MAP4K4 (0.42) ALDH1A1MAP4K4LRRK2RAF1BRAF
SCHEMBL4818291 0.83 MAP4K4 (0.41) MAP4K4METS1PR4
SCHEMBL4814874 0.80 MET (0.58) MET
SCHEMBL4821999 0.78 CYP19A1 (0.41) RAB9AALDH1A1MAP4K4POLBSMN1; SMN2
SCHEMBL4814872 0.76 MET (0.43) RAF1BRAFKITMET
SCHEMBL4817919 0.76 MET (0.62) MET
SCHEMBL12406059 0.75 HSPB1 (0.41) ALDH1A1MEN1KMT2ANPSR1L3MBTL1
SCHEMBL16863270 0.73 AXL (0.58) MITFRAB9AMEN1KMT2ANPSR1
SCHEMBL4817062 0.72 MAP4K4 (0.49) MAP4K4LRRK2
SCHEMBL4810921 0.72 MAP4K4 (0.49) MAP4K4LRRK2RAF1BRAF

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-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — US 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MITF 1481/4885RAB9A 1375/4885ALDH1A1 3087/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MITF 1060/4885RAB9A 3538/4885ALDH1A1 3818/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MITF 1481/4885RAB9A 1375/4885ALDH1A1 3087/4885

“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.