Sugi Predict

Sugi Predict / Compounds / SCHEMBL3311706

SCHEMBL3311706

SCHEMBL3311706

CSc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n2cc(NC(=O)OC(C)(C)C)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ BTK Q06187 4/20 0.40
▸ HPGD P15428 5/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ MTOR P42345 2/20 0.39
▸ TTK P33981 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ 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
▸ CD274 Q9NZQ7 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ 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
SCHEMBL3316080 0.88 CCNA2 (0.45) CCNA2CDK2BTKHPGDJAK2
SCHEMBL3318447 0.86 BTK (0.41) BTKHPGDJAK2JAK1LRRK2
SCHEMBL1783650 0.82 BTK (0.52) BTKHPGDJAK2MAPTALDH1A1
SCHEMBL3315642 0.80 CCNA2 (0.46) CCNA2CDK2BTKHPGDJAK2
SCHEMBL1786066 0.79 BTK (0.44) BTKHPGDJAK2MAPTALDH1A1
SCHEMBL3317744 0.79 CCNA2 (0.45) CCNA2CDK2BTKHPGDJAK2
SCHEMBL1786244 0.78 BTK (0.64) BTKJAK2
SCHEMBL3316553 0.78 CCNA2 (0.50) CCNA2CDK2BTKHPGDJAK2
SCHEMBL1284776 0.75 HPGD (0.62) HPGDMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9005121 0.73 CCNA2 (0.46) CCNA2CDK2BTKHPGDJAK2

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 CCNA2 732/4885CDK2 119/4885BTK 1/4885

“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.