Sugi Predict

Sugi Predict / Compounds / SCHEMBL2883743

SCHEMBL2883743

SCHEMBL2883743

NC(=O)c1cccc(C(=O)c2c[nH]c3ncc(I)cc23)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ AXL P30530 3/20 0.41
▸ DYRK3 O43781 2/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ NTRK1 P04629 2/20 0.41
▸ LCK P06239 2/20 0.41
▸ FYN P06241 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CSF1R P07333 2/20 0.41
▸ LYN P07948 2/20 0.41
▸ MARK3 P27448 2/20 0.41
▸ FLT4 P35916 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ FRK P42685 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ CSNK1D P48730 2/20 0.41

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
SCHEMBL2883747 0.88 CYP2C9 (0.46) CYP2C9CYP3A4AXLDYRK3ROCK2
SCHEMBL2351339 0.88 CYP2C9 (0.48) CYP2C9CYP3A4AXLDYRK3ROCK2
SCHEMBL3506159 0.86 BRAF (0.51) CYP2C9CYP3A4AXLDYRK3ROCK2
SCHEMBL2357072 0.86 CYP2C9 (0.49) CYP2C9CYP3A4ABL1LCKFYN
SCHEMBL3705466 0.86 CYP3A4 (0.52) CYP2C9CYP3A4AXLDYRK3ROCK2
SCHEMBL3506669 0.84 AXL (0.58) CYP2C9AXLDYRK3ROCK2PRKD3
SCHEMBL3507600 0.83 AAK1 (0.46) CYP2C9CYP3A4AXLMAPK8PAK1
SCHEMBL1720729 0.83 CYP2C9 (0.66) CYP2C9CYP3A4NTRK1NEK2JAK3
SCHEMBL3707349 0.82 CYP2C9 (0.44) CYP2C9CYP3A4NTRK1RPS6KB1SYK
SCHEMBL2353295 0.81 BRAF (0.53) CYP2C9CYP3A4AXLEGFRNEK2

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-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
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 — — WO 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 3611/4885AXL 470/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885AXL 97/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885AXL 97/4885

“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.