SCHEMBL3113735

SCHEMBL3113735

COc1ccc(Cn2nc(-c3ccc(C(=O)NCCN(C)C)cc3)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.40
MET P08581 9/20 0.34
KDR P35968 3/20 0.34
GCGR P47871 2/20 0.34
NAMPT P43490 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNK3 O14649 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL3104366 0.94 MET (0.36) AXLMETKDRGCGRMAPT
SCHEMBL3107229 0.94 MET (0.35) AXLMETKDRGCGRNAMPT
SCHEMBL3110040 0.91 CCR3 (0.39) AXLMETMAPT
SCHEMBL3106942 0.91 MET (0.38) AXLMETKDRKCNK3
SCHEMBL3097919 0.89 MET (0.35) AXLMETKDRALDH1A1CASP1
SCHEMBL3111347 0.88 MET (0.37) AXLMETKDRKCNK3
SCHEMBL3094928 0.86 KCNK3 (0.40) AXLMETKDRBRD4ALDH1A1
SCHEMBL3107753 0.86 KCNK3 (0.39) AXLMETKDRMAPTBRD4
SCHEMBL3116947 0.86 MET (0.36) AXLMETKDRHDAC1
SCHEMBL3111090 0.86 MET (0.35) AXLMETKDRMAPTGAA

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 AXL 117/4885MET 357/4885KDR 807/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 AXL 117/4885MET 357/4885KDR 807/4885

“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.