SCHEMBL9942513

SCHEMBL9942513

COc1cc(-c2c[nH]c3ccc(-c4c(F)cccc4F)cc23)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ SUV39H2 Q9H5I1 7/20 0.38
▸ AURKA O14965 3/20 0.38
▸ PDPK1 O15530 3/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ BTK Q06187 2/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CACNB4 O00305 1/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNG3 O60359 1/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CACNG7 P62955 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
SCHEMBL9904527 0.90 TYK2 (0.43) TYK2WNT1DYRK1APIM1
SCHEMBL9904328 0.83 PIM3 (0.49) TYK2PIM1
SCHEMBL9904273 0.80 PIM3 (0.45) TYK2CKS1BSKP1SKP2SUV39H2
SCHEMBL16191460 0.80 PIM1 (0.47) TYK2PIM1
SCHEMBL9904557 0.78 PIK3CD (0.43) TYK2BTKPARP1PIM1
SCHEMBL9904556 0.78 PIK3CD (0.43) TYK2BTKPARP1PIM1
SCHEMBL18150316 0.77 SUV39H2 (0.48) CKS1BSKP1SKP2SUV39H2
SCHEMBL9904776 0.73 CKS1B (0.42) CKS1BSKP1SKP2SUV39H2AURKA
SCHEMBL9942511 0.73 ALDH1A1 (0.51) CKS1BSKP1SKP2SUV39H2BTK
SCHEMBL9904280 0.72 PIM1 (0.39) PIM1

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 3 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
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 — — US 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 TYK2 290/4885CKS1B 342/4885SKP1 176/4885

“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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