SCHEMBL3318447

SCHEMBL3318447

CC(C)(C)OC(=O)Nc1cn2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(S(C)(=O)=O)nc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.41
JAK2 O60674 3/20 0.40
CD274 Q9NZQ7 1/20 0.39
HPGD P15428 5/20 0.39
JAK1 P23458 1/20 0.39
LRRK2 Q5S007 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ATM Q13315 1/20 0.38
EPHX2 P34913 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3311706 0.86 CCNA2 (0.42) BTKJAK2CD274HPGDJAK1
SCHEMBL3316454 0.82 JAK2 (0.44) BTKJAK2HPGDJAK1LRRK2
SCHEMBL1783650 0.81 BTK (0.52) BTKJAK2HPGDMAPTALDH1A1
SCHEMBL3315625 0.81 JAK2 (0.45) BTKJAK2HPGDJAK1LRRK2
SCHEMBL3315876 0.80 JAK2 (0.42) BTKJAK2HPGDLRRK2MAPT
SCHEMBL1786066 0.79 BTK (0.44) BTKJAK2HPGDMAPTALDH1A1
SCHEMBL3316008 0.78 JAK2 (0.47) BTKJAK2HPGDLRRK2MAPT
SCHEMBL1786244 0.78 BTK (0.64) BTKJAK2
SCHEMBL1284776 0.74 HPGD (0.62) CD274HPGDMAPTALDH1A1HTT
SCHEMBL3316080 0.74 CCNA2 (0.45) BTKJAK2HPGDLRRK2MAPT

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
EP-2125819-B1 Fused heterocyclic compounds useful for the treatment of proliferative, allergic, autoimmune or inflammatory diseases BRISTOL MYERS SQUIBB CO (US) 2014-10-22 EP disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US disclosed
EP-2125819-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2009-12-02 EP disclosed
WO-2008116064-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-25 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 (1 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 BTK 1/4885JAK2 16/4885CD274 2497/4885

“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.