SCHEMBL19988980

SCHEMBL19988980

CCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1c(C(N)=O)cnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 15/20 0.59
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PIK3C2B O00750 3/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL19989239 0.96 PIK3R2 (0.57) PIK3R2GAAMAPTPIK3C2BMEN1
SCHEMBL19989121 0.91 PIK3R2 (0.57) PIK3R2PIK3C2B
SCHEMBL19989078 0.86 PIK3C2B (0.56) PIK3R2PIK3C2B
SCHEMBL19989221 0.86 PIK3R2 (0.66) PIK3R2
SCHEMBL19991568 0.86 AKR1C3 (0.49) PIK3R2PIK3C2B
SCHEMBL19988955 0.84 PIK3R2 (0.65) PIK3R2PIK3C2B
SCHEMBL19988850 0.84 PIK3R2 (0.65) PIK3R2PIK3C2B
SCHEMBL19988950 0.83 PIK3R2 (0.67) PIK3R2PIK3C2B
SCHEMBL19989353 0.83 PIK3R2 (0.66) PIK3R2PIK3C2B
SCHEMBL19989243 0.82 PIK3R2 (0.65) PIK3R2PIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057808-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, TNNI3K PIK3R2 18/4885GAA 2943/4885MAPT 146/4885

“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.