SCHEMBL3112384

SCHEMBL3112384

COc1ccc(Cn2nc(NC3CCN(C)CC3)c3c(Oc4cc(Cl)c(N)cc4F)ccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
BCL6 P41182 1/20 0.37
EHMT2 Q96KQ7 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MCHR1 Q99705 2/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
KCNH2 Q12809 1/20 0.33
SSTR4 P31391 1/20 0.33
EGFR P00533 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
AOC3 Q16853 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
SCHEMBL4872209 0.96 JAK2 (0.38) JAK2BCL6EHMT2MEN1KMT2A
SCHEMBL3112556 0.90 JAK2 (0.41) JAK2BCL6EHMT2MEN1KMT2A
SCHEMBL3105707 0.83 MEN1 (0.40) JAK2EHMT2MEN1KMT2AMCHR1
SCHEMBL3109363 0.83 AXL (0.42) JAK2EHMT2MEN1KMT2AMCHR1
SCHEMBL3108855 0.82 AXL (0.41) MEN1KMT2ATLR7
SCHEMBL3111443 0.82 AXL (0.40) JAK2EHMT2MEN1KMT2AACHE
SCHEMBL3104814 0.82 AXL (0.42) JAK2EHMT2MEN1KMT2AACHE
SCHEMBL3104585 0.82 JAK2 (0.39) JAK2MEN1KMT2AMCHR1ACHE
SCHEMBL3106761 0.82 AOC3 (0.37) JAK2MEN1KMT2AAOC3
SCHEMBL3114532 0.81 NR3C1 (0.37) MCHR1

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 JAK2 47/4885BCL6 2826/4885EHMT2 4869/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 JAK2 47/4885BCL6 2826/4885EHMT2 4869/4885

“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.