SCHEMBL3315876

SCHEMBL3315876

CS(=O)(=O)c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n2cc(C#N)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
LRRK2 Q5S007 2/20 0.41
HPGD P15428 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40
TTK P33981 1/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
TYK2 P29597 1/20 0.38
PHGDH O43175 1/20 0.38
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL3316454 0.86 JAK2 (0.44) JAK2LRRK2HPGDRXFP1TTK
SCHEMBL3317744 0.85 CCNA2 (0.45) JAK2LRRK2HPGDRXFP1EED
SCHEMBL3315625 0.85 JAK2 (0.45) JAK2LRRK2HPGDRXFP1TTK
SCHEMBL3316008 0.82 JAK2 (0.47) JAK2LRRK2HPGDRXFP1TTK
SCHEMBL3318447 0.80 BTK (0.41) JAK2LRRK2HPGDRXFP1ALDH1A1
SCHEMBL3316025 0.73 BTK (0.56) BTK
SCHEMBL27786128 0.71 L3MBTL1 (0.49) JAK2LRRK2HPGDRXFP1ALDH1A1
SCHEMBL3315642 0.69 CCNA2 (0.46) JAK2LRRK2HPGDRXFP1TTK
SCHEMBL27997814 0.69 MKNK1 (0.55) HPGDRXFP1ALDH1A1MAPTPHGDH
SCHEMBL3316080 0.69 CCNA2 (0.45) JAK2LRRK2HPGDRXFP1TTK

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 JAK2 16/4885LRRK2 394/4885HPGD 4308/4885

“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.