SCHEMBL9904579

SCHEMBL9904579

Cc1ccc(S(=O)(=O)n2cc(-c3cncc(NC4CCCN(C(=O)OC(C)(C)C)C4)n3)c3cc(-c4cncc(OC(C)C)n4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 3/20 0.38
▸ DYRK1A Q13627 3/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MERTK Q12866 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
SCHEMBL9904582 1.00 CTPS1 (0.38) CTPS1DYRK1ACLK2CLK3MMP13
SCHEMBL9942535 0.92 CTPS1 (0.37) CTPS1MMP13HTR6BCHESYK
SCHEMBL15844843 0.82 PIM1 (0.45) MMP13HTR6BCHEPIK3CDUSP30
SCHEMBL12616440 0.82 PIM1 (0.45) MMP13HTR6BCHEPIK3CDUSP30
SCHEMBL9904724 0.82 PIM1 (0.49) DYRK1ACLK2CLK3PIK3CDUSP30
SCHEMBL9904723 0.82 PIM1 (0.49) DYRK1ACLK2CLK3PIK3CDUSP30
SCHEMBL9901269 0.78 TYK2 (0.42) HTR6BCHEPIK3CDGPR119PIM1
SCHEMBL9901268 0.78 TYK2 (0.42) HTR6BCHEPIK3CDGPR119PIM1
SCHEMBL9904528 0.76 PIK3CD (0.39) MMP13HTR6BCHEPIK3CDUSP30
SCHEMBL9904525 0.76 PIK3CD (0.39) MMP13HTR6BCHEPIK3CDUSP30

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-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 — — US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 — — EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 — — US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 — — EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 — — 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 CTPS1 2242/4885DYRK1A 745/4885CLK2 707/4885

“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.

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