SCHEMBL19989075

SCHEMBL19989075

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3c(F)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK2A1 P68400 1/20 0.40
STK3 Q13188 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PIK3R2 O00459 8/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL19989069 0.91 CLK2 (0.50) MAPTCLK2GSK3AGSK3BCSNK2A1
SCHEMBL19988986 0.91 MAPT (0.46) MAPTCLK2GSK3AGSK3BCSNK2A1
SCHEMBL19989235 0.91 PIK3R2 (0.41) MAPTCLK2GSK3AGSK3BCSNK2A1
SCHEMBL19988989 0.90 PIK3R2 (0.41) MAPTPIK3R2SMN1; SMN2
SCHEMBL19988849 0.90 PIK3R2 (0.38) MAPTPIK3R2LMNAPKMMAPK1
SCHEMBL19988972 0.90 PIK3R2 (0.38) MAPTGSK3AGSK3BPIK3R2MAPK1
SCHEMBL19989016 0.89 PIK3R2 (0.41) MAPTPIK3R2NPC1MEN1RAB9A
SCHEMBL19989216 0.89 MAPT (0.39) MAPTPIK3R2LMNA
SCHEMBL19991570 0.88 MAPT (0.41) MAPTLMNAPKMMAPK1TDP1
SCHEMBL19989253 0.88 ALDH1A1 (0.41) MAPTCLK2GSK3AGSK3BCSNK2A1

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 146/4885CLK2 297/4885GSK3A 57/4885

“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.