Sugi Predict

Sugi Predict / Compounds / SCHEMBL3700568

SCHEMBL3700568

SCHEMBL3700568

NC(=O)c1ccc(F)c(C(=O)c2c[nH]c3ncc(OCc4ccccc4)cc23)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 9/20 0.46
▸ BRAF P15056 5/20 0.46
▸ RIPK2 O43353 2/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ MAP2K2 P36507 2/20 0.46
▸ TGFBR2 P37173 2/20 0.46
▸ NEK2 P51955 2/20 0.46
▸ MAP2K1 Q02750 2/20 0.46
▸ TNK2 Q07912 2/20 0.46
▸ MAP2K5 Q13163 2/20 0.46
▸ PTK6 Q13882 2/20 0.46
▸ NEK11 Q8NG66 2/20 0.46
▸ MAP3K20 Q9NYL2 2/20 0.46
▸ MAP4K5 Q9Y4K4 2/20 0.46
▸ PAK1 Q13153 2/20 0.46
▸ BMPR1B O00238 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ PIR O00625 1/20 0.46
▸ AURKA O14965 1/20 0.46

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
SCHEMBL3700572 0.90 BRAF (0.45) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL3506735 0.87 BRAF (0.53) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL2356427 0.84 BRAF (0.50) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL2351754 0.84 BRAF (0.49) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL856639 0.83 CYP2D6 (0.47) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL3505551 0.82 BRAF (0.56) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL298618 0.82 BRAF (0.72) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL3703307 0.82 BRAF (0.51) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL3713981 0.81 BRAF (0.51) CYP2C19BRAFRIPK2RAF1KDR
SCHEMBL2352459 0.81 BRAF (0.48) CYP2C19BRAFRIPK2RAF1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 — — 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
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 — — US disclosed
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 — — 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C19 2730/4885BRAF 1/4885RIPK2 552/4885
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C19 4579/4885BRAF 48/4885RIPK2 514/4885

“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.