SCHEMBL4849957

SCHEMBL4849957

CCc1cc(F)c(COc2nsc(NC(=O)NCc3ccco3)c2C(N)=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.48
TGFBR2 P37173 1/20 0.48
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 1/20 0.43
STK10 O94804 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
YES1 P07947 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
ROS1 P08922 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL3082237 0.93 ACVR2A (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3084187 0.91 ACVR2A (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3070913 0.90 ACVR2A (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3078150 0.88 PLK4 (0.49) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3098328 0.88 ACVR2A (0.45) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3096111 0.86 ACVR2A (0.46) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3090557 0.82 KDR (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3097983 0.81 KDR (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3078404 0.81 KDR (0.54) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3092522 0.80 ACVR2A (0.46) ACVR2ATGFBR2PLK4AURKAEPHB6

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-7405218-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2008-07-29 US disclosed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 EP disclosed
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2003-08-07 US disclosed
US-6548526-B2 Isothiazole derivatives useful as anticancer agents PFIZER INC 2003-04-15 US disclosed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 US disclosed
US-6235764-B1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2001-05-22 US disclosed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 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-20010020034-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 ACVR2A 4702/4885TGFBR2 3414/4885PLK4 1944/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 ACVR2A 4702/4885TGFBR2 3414/4885PLK4 1944/4885

“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.