SCHEMBL3105978

SCHEMBL3105978

COc1ccc(Cn2nc(C)c3c(Oc4ccc(-c5cncn(Cc6ccc(Cl)cc6)c5=O)cc4F)ccnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.41
ACLY P53396 1/20 0.41
MET P08581 6/20 0.37
MST1R Q04912 2/20 0.37
HGF P14210 1/20 0.37
NPBWR1 P48145 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
UBE2N P61088 1/20 0.35
GRM2 Q14416 1/20 0.35
KDR P35968 1/20 0.34

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
SCHEMBL3109397 0.80 AXL (0.42) METMST1RHGFGRM2
SCHEMBL3112398 0.79 MET (0.60) METMST1RHGFUSP2SMN1; SMN2
SCHEMBL3109429 0.79 MET (0.60) METMST1RHGFKDR
SCHEMBL3912763 0.79 MET (0.59) METMST1RHGFKDR
SCHEMBL3095640 0.78 MET (0.45) METMST1RHGFKDR
SCHEMBL3095637 0.78 MET (0.41) METMST1RHGFKDR
SCHEMBL3104428 0.77 CYP1A2 (0.39) NR3C1
SCHEMBL3101505 0.75 MAPT (0.45) MEN1KMT2ASMN1; SMN2
SCHEMBL3916623 0.74 MET (0.59) METMST1RHGFKDR
SCHEMBL3114532 0.74 NR3C1 (0.37) NR3C1NPBWR1

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 NR3C1 560/4885ACLY 4182/4885MET 357/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 NR3C1 560/4885ACLY 4182/4885MET 357/4885

“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.