SCHEMBL9904557

SCHEMBL9904557

COc1cc(-c2c[nH]c3ccc(-c4c(F)cccc4F)cc23)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ PIM1 P11309 3/20 0.41
▸ PIM2 Q9P1W9 3/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ JUN P05412 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EGFR P00533 4/20 0.38
▸ BTK Q06187 3/20 0.38
▸ ITK Q08881 2/20 0.38
▸ TRPV1 Q8NER1 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
SCHEMBL9904556 1.00 PIK3CD (0.43) PIK3CDUSP30PIM1PIM2PIM3
SCHEMBL9904528 0.83 PIK3CD (0.39) PIK3CDUSP30PIM1PIM2BRD4
SCHEMBL9904525 0.83 PIK3CD (0.39) PIK3CDUSP30PIM1PIM2BRD4
SCHEMBL9904658 0.82 PIM1 (0.53) PIK3CDUSP30PIM1PIM2PIM3
SCHEMBL9904659 0.82 PIM1 (0.53) PIK3CDUSP30PIM1PIM2PIM3
SCHEMBL16199870 0.80 USP30 (0.42) PIK3CDUSP30PIM1PIM2TYK2
SCHEMBL9904454 0.79 TYK2 (0.58) PIM1PIM2PIM3CDK2TYK2
SCHEMBL9904452 0.79 TYK2 (0.58) PIM1PIM2PIM3CDK2TYK2
SCHEMBL9904397 0.79 TYK2 (0.62) PIK3CDPIM1PIM2PIM3TYK2
SCHEMBL9904399 0.79 TYK2 (0.62) PIK3CDPIM1PIM2PIM3TYK2

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 9 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-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
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
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
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 PIK3CD 544/4885USP30 3521/4885PIM1 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.

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