SCHEMBL19988964

SCHEMBL19988964

CCc1c(C)nc2ccccc2c1-n1cnc2c(C(N)=O)cc(N3CCOCC3)cc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 11/20 0.67
PIK3C2B O00750 5/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AHR P35869 1/20 0.39

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
SCHEMBL19989071 0.93 PIK3R2 (0.69) PIK3R2PIK3C2BCYP1A2CYP3A4CYP2D6
SCHEMBL19989425 0.90 PIK3R2 (0.65) PIK3R2PIK3C2BCYP1A2CYP3A4CYP2D6
SCHEMBL19989228 0.89 PIK3R2 (0.67) PIK3R2PIK3C2BCYP1A2CYP3A4CYP2D6
SCHEMBL19989243 0.86 PIK3R2 (0.65) PIK3R2PIK3C2B
SCHEMBL19988898 0.82 PIK3R2 (0.69) PIK3R2PIK3C2BMAPTPKMKDM4E
SCHEMBL20000188 0.80 PIK3R2 (0.80) PIK3R2
SCHEMBL20000160 0.80 PIK3R2 (0.78) PIK3R2
SCHEMBL19989530 0.79 PIK3R2 (0.65) PIK3R2PIK3C2BCYP1A2CYP3A4CYP2D6
SCHEMBL19988985 0.79 PIK3R2 (0.67) PIK3R2PIK3C2BPKM
SCHEMBL19988980 0.78 PIK3R2 (0.59) PIK3R2PIK3C2BMAPTALDH1A1GAA

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 18/4885PIK3C2B 20/4885CYP1A2 3154/4885

“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.