SCHEMBL2958139

SCHEMBL2958139

CC(=O)N1CCN(CC#CCn2nc(-c3ccc4c(ccn4Cc4ccccc4Cl)c3)c3c(N)ncnc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.52
▸ PIK3CD O00329 6/20 0.44
▸ PRKDC P78527 4/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PIK3CG P48736 4/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3R1 P27986 2/20 0.42
▸ SRC P12931 6/20 0.42

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
SCHEMBL2960168 0.88 PIK3CD (0.46) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2960164 0.88 PIK3CD (0.46) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2962359 0.88 PIK3CD (0.44) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2969399 0.78 TGFBR1 (0.44) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2969401 0.78 TGFBR1 (0.44) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2956385 0.77 KDR (0.51) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2967433 0.77 PIK3CD (0.47) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2961978 0.75 SRC (0.59) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB
SCHEMBL2956346 0.74 SRC (0.63) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL2958136 0.74 PIK3CD (0.47) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 — — EP claimed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US claimed
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 — — EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US disclosed
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 — — EP disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 — — US disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 — — 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 TGFBR1 4446/4885PIK3CD 264/4885PRKDC 11/4885

“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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