SCHEMBL19989026

SCHEMBL19989026

COC(=O)c1cc(N2CCOCC2)cc(Nc2cc(C)nc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PIK3C2B O00750 4/20 0.39
PIK3R2 O00459 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A2 P43354 1/20 0.37

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
SCHEMBL19989205 0.91 PIK3R2 (0.43) MAPTCYP1A2CYP3A4CYP2D6PIK3C2B
SCHEMBL19988941 0.90 PIK3R2 (0.40) MAPTPIK3C2BPIK3R2SMN1; SMN2KMT2A
SCHEMBL19989431 0.90 PIK3R2 (0.41) MAPTCYP3A4PIK3C2BPIK3R2TP53
SCHEMBL19988989 0.88 PIK3R2 (0.41) MAPTPIK3R2SMN1; SMN2
SCHEMBL19989256 0.88 PIK3CA (0.41) MAPTPIK3C2BPIK3R2SMN1; SMN2KMT2A
SCHEMBL19989092 0.87 MAPT (0.52) MAPTCYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL19989495 0.85 SMN1; SMN2 (0.44) MAPTPIK3R2SMN1; SMN2TP53MAPK1
SCHEMBL19988976 0.84 MAPT (0.45) MAPTPIK3R2SMN1; SMN2TP53MAPK1
SCHEMBL19991582 0.82 MAPT (0.44) MAPTKMT2AMEN1POLBMAPK1
SCHEMBL19991577 0.82 SIRT6 (0.47) MAPTPIK3C2BSMN1; SMN2KMT2AMEN1

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 MAPT 146/4885CYP1A2 3154/4885CYP3A4 2317/4885

“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.