Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570620

SCHEMBL4570620

SCHEMBL4570620

[C-]#[N+]c1cnc2[nH]cc(C(=O)c3cccc(N)c3F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ PAK1 Q13153 3/20 0.38
▸ AXL P30530 2/20 0.37
▸ DCLK1 O15075 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ LCK P06239 2/20 0.37
▸ FYN P06241 2/20 0.37
▸ CSF1R P07333 2/20 0.37
▸ LYN P07948 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ FRK P42685 2/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ BLK P51451 2/20 0.37
▸ NEK2 P51955 2/20 0.37
▸ PTK6 Q13882 2/20 0.37
▸ MINK1 Q8N4C8 2/20 0.37
▸ SLK Q9H2G2 2/20 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
SCHEMBL2351343 0.85 CYP2C9 (0.48) CYP2C9CYP3A4PAK1AXLDCLK1
SCHEMBL4570637 0.84 BRAF (0.48) CYP2C9CYP3A4PAK1DCLK1MAP4K4
SCHEMBL3705469 0.83 CYP3A4 (0.52) CYP2C9CYP3A4PAK1AXLDCLK1
SCHEMBL299382 0.83 BRAF (0.51) CYP2C9CYP3A4PAK1AXLDCLK1
SCHEMBL2883747 0.83 CYP2C9 (0.46) CYP2C9CYP3A4PAK1AXLDCLK1
SCHEMBL2357075 0.83 BRAF (0.49) CYP2C9CYP3A4PAK1DCLK1MAP4K4
SCHEMBL3506675 0.81 AXL (0.58) CYP2C9PAK1AXLABL1LCK
SCHEMBL299151 0.80 CYP2C9 (0.66) CYP2C9CYP3A4PAK1NTRK1BRAF
SCHEMBL3507602 0.80 CYP2C9 (0.45) CYP2C9CYP3A4PAK1AXLCYP2D6
SCHEMBL10246105 0.80 CYP2C9 (0.61) CYP2C9CYP3A4PAK1DCLK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 — — US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 — — 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP3A4 3611/4885PAK1 290/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885PAK1 40/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885PAK1 40/4885

“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.