SCHEMBL3112653

SCHEMBL3112653

COc1ccc(Cn2nc(NC3CC4CCC(C3)N4C)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 10/20 0.36
JAK2 O60674 1/20 0.35
LTA4H P09960 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 2/20 0.33
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
BUB1 O43683 1/20 0.32
GPR6 P46095 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
SCHEMBL3112556 0.90 JAK2 (0.41) AXLJAK2MEN1KMT2AROCK2
SCHEMBL3106883 0.89 AXL (0.35) AXLJAK2MEN1KMT2AROCK2
SCHEMBL3108855 0.89 AXL (0.41) AXLMEN1KMT2AGPR6
SCHEMBL3104585 0.88 JAK2 (0.39) AXLJAK2MEN1KMT2AROCK2
SCHEMBL3105707 0.88 MEN1 (0.40) AXLJAK2MEN1KMT2AROCK2
SCHEMBL3106761 0.88 AOC3 (0.37) AXLJAK2MEN1KMT2AGPR6
SCHEMBL3109363 0.87 AXL (0.42) AXLJAK2MEN1KMT2AROCK2
SCHEMBL3104814 0.87 AXL (0.42) AXLJAK2MEN1KMT2AROCK2
SCHEMBL3111443 0.87 AXL (0.40) AXLJAK2MEN1KMT2AROCK2
SCHEMBL21777935 0.83 AXL (0.36) AXLBUB1

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 3 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
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US 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 117/4885JAK2 47/4885LTA4H 2221/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 AXL 117/4885JAK2 47/4885LTA4H 2221/4885

“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.