SCHEMBL19989259

SCHEMBL19989259

COC(=O)c1cc(N2CCOCC2)cc(Nc2c(C)cnc3c(C#N)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
GAA P10253 4/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PIK3R2 O00459 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.38
MAPK10 P53779 1/20 0.38
PTK2 Q05397 1/20 0.37
PKM P14618 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL19988976 0.89 MAPT (0.45) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19989253 0.87 ALDH1A1 (0.41) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19989217 0.85 MAPT (0.51) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19989328 0.84 GAA (0.46) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19989495 0.83 SMN1; SMN2 (0.44) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19988906 0.81 PIK3R2 (0.42) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19988986 0.79 MAPT (0.46) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19989256 0.78 PIK3CA (0.41) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19988880 0.78 MAPT (0.41) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19988919 0.78 MAPT (0.42) MAPTGAASMN1; SMN2L3MBTL1PIK3R2

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 146/4885GAA 2943/4885MAPK1 106/4885

“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.