SCHEMBL3105707

SCHEMBL3105707

CCN1CCC(Nc2nn(Cc3ccc(OC)cc3)c3nccc(Oc4ccc(N)cc4F)c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AXL P30530 1/20 0.39
ROCK2 O75116 3/20 0.38
ACHE P22303 3/20 0.38
BACE1 P56817 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
JAK2 O60674 1/20 0.37
MCHR1 Q99705 4/20 0.36
SSTR5 P35346 2/20 0.36
EHMT2 Q96KQ7 2/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
NSD2 O96028 2/20 0.35
MLNR O43193 1/20 0.34
CACNA1F O60840 1/20 0.34
EED O75530 1/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 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
SCHEMBL3109363 0.93 AXL (0.42) MEN1KMT2AAXLROCK2ACHE
SCHEMBL3112556 0.93 JAK2 (0.41) MEN1KMT2AAXLROCK2ACHE
SCHEMBL3111443 0.93 AXL (0.40) MEN1KMT2AAXLROCK2ACHE
SCHEMBL3104814 0.93 AXL (0.42) MEN1KMT2AAXLROCK2ACHE
SCHEMBL3108855 0.92 AXL (0.41) MEN1KMT2AAXL
SCHEMBL3104585 0.91 JAK2 (0.39) MEN1KMT2AAXLROCK2ACHE
SCHEMBL3106761 0.91 AOC3 (0.37) MEN1KMT2AAXLJAK2
SCHEMBL3112653 0.88 AXL (0.36) MEN1KMT2AAXLROCK2JAK2
SCHEMBL3106883 0.87 AXL (0.35) MEN1KMT2AAXLROCK2JAK2
SCHEMBL3106664 0.86 ALDH1A1 (0.45) BACE1JAK2EHMT2DNMT3ANSD2

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 MEN1 2329/4885KMT2A 4800/4885AXL 117/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MEN1 2329/4885KMT2A 4800/4885AXL 117/4885

“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.