SCHEMBL377946

SCHEMBL377946

COC(=O)c1c(OCc2c(F)cc(Cl)c(F)c2F)nsc1NC(=O)NCCCCN1CCCC1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.51
KDR P35968 4/20 0.51
PDGFRB P09619 3/20 0.51
AURKB Q96GD4 2/20 0.51
FLT1 P17948 2/20 0.51
PLK4 O00444 1/20 0.51
EPHB6 O15197 1/20 0.51
RIPK2 O43353 1/20 0.51
STK10 O94804 1/20 0.51
MAP4K4 O95819 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
INSR P06213 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
MET P08581 1/20 0.51
ROS1 P08922 1/20 0.51

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
SCHEMBL377881 0.92 KDR (0.60) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL378464 0.92 KDR (0.54) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL3092216 0.90 KDR (0.61) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL378873 0.90 KDR (0.55) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL378039 0.89 AURKA (0.45) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL377903 0.87 KDR (0.66) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL378442 0.87 AURKA (0.48) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL377978 0.87 LCK (0.47) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL3090301 0.86 KDR (0.61) AURKAKDRPDGFRBAURKBFLT1
SCHEMBL378235 0.85 KDR (0.47) AURKAKDRPDGFRBAURKBFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US claimed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US claimed
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 EP claimed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 US claimed
EP-1784183-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES Pfizer Products Incorporated (US) 2007-05-16 EP claimed
WO-2006026034-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-03-09 WO claimed
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US disclosed
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 US disclosed
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 EP disclosed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 US disclosed
EP-1784183-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES Pfizer Products Incorporated (US) 2007-05-16 EP disclosed
WO-2006026034-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-03-09 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-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 AURKA 830/4885KDR 2551/4885PDGFRB 3219/4885
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 AURKA 943/4885KDR 2246/4885PDGFRB 3147/4885

“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.