SCHEMBL3101683

SCHEMBL3101683

COc1ccc(Cn2nc(C)c3c(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)ccnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.60
KDR P35968 20/20 0.60
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
AXL P30530 1/20 0.56
FLT1 P17948 1/20 0.54
FLT4 P35916 1/20 0.54
AURKA O14965 1/20 0.52
FPR1 P21462 1/20 0.52
FPR3 P25089 1/20 0.52
GPR183 P32249 1/20 0.52
SMO Q99835 1/20 0.52
GPR35 Q9HC97 1/20 0.52

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
SCHEMBL3107480 0.86 MET (0.65) METKDRPDGFRBPDGFRAAXL
SCHEMBL3114954 0.83 TP53 (0.44) METKDR
SCHEMBL3108860 0.78 MET (0.65) METKDRPDGFRBPDGFRAAXL
SCHEMBL3107599 0.78 MET (0.47) METKDRAXL
SCHEMBL3112897 0.77 TSPO (0.41)
SCHEMBL3104658 0.77 MET (0.53) METKDRAXL
SCHEMBL3570597 0.76 MET (0.79) METKDRAURKAFPR1FPR3
SCHEMBL3112710 0.76 MET (0.60) METKDRAXL
SCHEMBL3457986 0.76 MET (1.00) METKDRPDGFRBPDGFRAAXL
SCHEMBL3104428 0.76 CYP1A2 (0.39) AXL

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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MET 357/4885KDR 807/4885PDGFRB 488/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885KDR 807/4885PDGFRB 488/4885

“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.