SCHEMBL14481463

SCHEMBL14481463

O=c1nc[nH]c2cc(N3CCOCC3)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.65
▸ PIK3CA P42336 2/20 0.65
▸ PIK3CB P42338 2/20 0.65
▸ QPCT Q16769 2/20 0.49
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ PRKDC P78527 4/20 0.45
▸ IP6K1 Q92551 3/20 0.45
▸ IP6K3 Q96PC2 2/20 0.45
▸ MAP3K11 Q16584 1/20 0.44
▸ KIF11 P52732 1/20 0.42
▸ ZAP70 P43403 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41

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
SCHEMBL8871223 0.90 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBQPCTPDE3B
SCHEMBL18108512 0.79 PIK3CA (0.63) PIK3CDPIK3CAPIK3CBQPCTPDE3B
SCHEMBL2426171 0.79 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBQPCTPRKDC
SCHEMBL30823308 0.79 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBQPCTPRKDC
SCHEMBL23122757 0.78 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBQPCTPDE3B
SCHEMBL29745276 0.78 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBQPCTPDE3B
SCHEMBL28826859 0.77 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPDE3BPDE3A
SCHEMBL8976318 0.77 IP6K1 (0.61) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL8871230 0.76 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBQPCTIP6K1
SCHEMBL8871355 0.75 IP6K1 (0.62) PIK3CDPIK3CAPIK3CBPDE3BPDE3A

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
EP-2547664-B1 MORPHOLINYLQUINAZOLINES MERCK PATENT GMBH (DE) 2016-05-04 — — EP disclosed
US-9126952-B2 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-20130012489-A1 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2013-01-10 — — US 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-20130012489-A1 Morpholinylquinazolines LATS2, TNK2, SKP1 PIK3CD 1763/4885PIK3CA 643/4885PIK3CB 2472/4885

“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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