SCHEMBL17457971

SCHEMBL17457971

CC(N)c1nc2cccc(OCCN3CCN(c4ccccc4)CC3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.66
HTR1A P08908 4/20 0.48
HRH3 Q9Y5N1 3/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL17457970 1.00 PIK3CD (0.66) PIK3CDHTR1AHRH3DRD3KCNH2
SCHEMBL17458351 0.93 PIK3CD (0.66) PIK3CDHRH3KCNH2
SCHEMBL17458105 0.93 PIK3CD (0.66) PIK3CDHRH3KCNH2
SCHEMBL17458329 0.93 PIK3CD (0.66) PIK3CDHRH3KCNH2
SCHEMBL17458327 0.93 PIK3CD (0.66) PIK3CDHRH3KCNH2
SCHEMBL17458349 0.93 PIK3CD (0.66) PIK3CDHRH3KCNH2
SCHEMBL17458104 0.93 PIK3CD (0.66) PIK3CDHRH3KCNH2
SCHEMBL17458389 0.92 PIK3CD (0.66) PIK3CDHRH3KCNH2DRD1DRD5
SCHEMBL17458387 0.92 PIK3CD (0.66) PIK3CDHRH3KCNH2DRD1DRD5
SCHEMBL17458372 0.87 PIK3CD (0.66) PIK3CDHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed
US-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-08 US disclosed
US-9765060-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-09-19 US disclosed
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-01-28 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 (2 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-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CD 8/4885HTR1A 2671/4885HRH3 1591/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 9/4885HTR1A 3389/4885HRH3 1522/4885

“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.