SCHEMBL3103567

SCHEMBL3103567

COc1ccc(Cn2nc(NC3CCN(C(=O)O)CC3F)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
AXL P30530 7/20 0.34
LMNA P02545 2/20 0.34
MET P08581 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BTK Q06187 1/20 0.33
DPP4 P27487 1/20 0.33
MC4R P32245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5144054 0.92 SRC (0.38) JAK1JAK2TYK2JAK3BTK
SCHEMBL3112880 0.92 SRC (0.38) JAK1JAK2TYK2JAK3BTK
SCHEMBL3095415 0.92 SRC (0.38) JAK1JAK2TYK2JAK3BTK
SCHEMBL3106664 0.83 ALDH1A1 (0.45) JAK2BTKALDH1A1
SCHEMBL1944325 0.83 MET (0.34) AXLLMNAMETKDM4ESMN1; SMN2
SCHEMBL3112556 0.82 JAK2 (0.41) JAK2AXL
SCHEMBL1947642 0.82 PIK3CD (0.39) AXLMET
SCHEMBL3105707 0.82 MEN1 (0.40) JAK2AXLLMNASMN1; SMN2MC4R
SCHEMBL3106761 0.82 AOC3 (0.37) JAK2AXL
SCHEMBL3108855 0.81 AXL (0.41) 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 JAK1 79/4885JAK2 47/4885TYK2 62/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 JAK1 79/4885JAK2 47/4885TYK2 62/4885

“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.