SCHEMBL1613305

SCHEMBL1613305

CC1(C)CN(c2nc(N)ncc2F)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.38
▸ PIK3CA P42336 10/20 0.35
▸ PIK3CD O00329 5/20 0.35
▸ PIK3CB P42338 4/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ DHFR P00374 1/20 0.34
▸ HSP90B1 P14625 1/20 0.34
▸ TRAP1 Q12931 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL1614023 0.85 MAP3K14 (0.37) MAP3K14DHFRHSP90B1TRAP1PDE4B
SCHEMBL12714084 0.82 AKT1 (0.41) MAP3K14PIK3CADHFRPDE4BHRH4
SCHEMBL12714107 0.81 AKT1 (0.36) MAP3K14PIK3CADHFRHSP90B1TRAP1
SCHEMBL1613818 0.81 AKT1 (0.36) MAP3K14PIK3CADHFRHSP90B1TRAP1
SCHEMBL1613278 0.81 MAP3K14 (0.32) MAP3K14HSP90B1TRAP1
SCHEMBL1613397 0.81 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPDE4B
SCHEMBL12743773 0.80 PDE2A (0.35) PIK3CAPIK3CDPIK3CBPIK3CGPDE4B
SCHEMBL1612018 0.78 MAP3K14 (0.60) MAP3K14DHFRHSP90B1TRAP1HRH4
SCHEMBL1613669 0.76 HRH4 (0.33) MAP3K14PIK3CAPIK3CDPIK3CGHRH4
SCHEMBL1613018 0.76 PAK4 (0.43) MAP3K14BACE1

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-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 MAP3K14 17/4885PIK3CA 334/4885PIK3CD 335/4885

“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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