Sugi Predict

Sugi Predict / Compounds / SCHEMBL3808570

SCHEMBL3808570

SCHEMBL3808570

O=C(Nc1ccc(F)cc1)N1CCC[C@@H](Nc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.60
▸ RAF1 P04049 14/20 0.56
▸ FLT3 P36888 4/20 0.56
▸ ERN1 O75460 3/20 0.56
▸ ABL1 P00519 3/20 0.56
▸ FGFR1 P11362 3/20 0.56
▸ MAPK8 P45983 3/20 0.56
▸ MAPK11 Q15759 3/20 0.56
▸ MAPK14 Q16539 3/20 0.56
▸ NTRK2 Q16620 3/20 0.56
▸ HIPK1 Q86Z02 3/20 0.56
▸ MAP3K20 Q9NYL2 3/20 0.56
▸ EGFR P00533 5/20 0.48
▸ ERBB2 P04626 5/20 0.48
▸ IGF1R P08069 4/20 0.48

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
SCHEMBL3809247 0.95 BRAF (0.55) BRAFRAF1FLT3ERN1ABL1
SCHEMBL3811056 0.92 BRAF (0.70) BRAFRAF1FLT3ERN1ABL1
SCHEMBL3818543 0.91 BRAF (0.54) BRAFRAF1FLT3ERN1ABL1
SCHEMBL3814527 0.91 BRAF (0.57) BRAFRAF1FLT3ERN1ABL1
SCHEMBL2746101 0.90 BRAF (0.61) BRAFRAF1FLT3ERN1ABL1
SCHEMBL3814506 0.88 BRAF (0.56) BRAFRAF1FLT3ERN1ABL1
SCHEMBL14340350 0.86 BRAF (0.57) BRAFRAF1FLT3ERN1ABL1
SCHEMBL2746309 0.85 BRAF (0.55) BRAFRAF1FLT3ERN1ABL1
SCHEMBL2746137 0.84 BRAF (0.56) BRAFRAF1FLT3ERN1ABL1
SCHEMBL14391901 0.83 BRAF (0.62) BRAFRAF1FLT3ERN1ABL1

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-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 — — US disclosed
US-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 — — US disclosed
US-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 — — US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 — — US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 — — US disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 — — 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 (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-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885FLT3 80/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885FLT3 55/4885

“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.