SCHEMBL19988906

SCHEMBL19988906

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 1/20 0.42
MAPT P10636 6/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
ZAP70 P43403 1/20 0.39
MAPK9 P45984 3/20 0.38
MAPK10 P53779 3/20 0.38
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
ULK1 O75385 1/20 0.37
MAPK8 P45983 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
RECQL P46063 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
SCHEMBL19989495 0.93 SMN1; SMN2 (0.44) PIK3R2MAPTGAAMAPK1SMN1; SMN2
SCHEMBL19988976 0.88 MAPT (0.45) PIK3R2MAPTGAAMAPK1SMN1; SMN2
SCHEMBL19989021 0.87 MAPT (0.49) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19989075 0.87 MAPT (0.40) PIK3R2MAPTMAPK1SMN1; SMN2TDP1
SCHEMBL19988880 0.86 MAPT (0.41) PIK3R2MAPTGAAMAPK1SMN1; SMN2
SCHEMBL19988860 0.84 PIK3R2 (0.44) PIK3R2MAPTGAAMAPK1SMN1; SMN2
SCHEMBL19989175 0.83 MAPT (0.48) PIK3R2MAPTGAAMAPK1SMN1; SMN2
SCHEMBL19989256 0.83 PIK3CA (0.41) PIK3R2MAPTGAAMAPK1SMN1; SMN2
SCHEMBL19991570 0.83 MAPT (0.41) MAPTGAAMAPK1SMN1; SMN2TDP1
SCHEMBL19988989 0.82 PIK3R2 (0.41) PIK3R2MAPTSMN1; SMN2

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 18/4885MAPT 146/4885GAA 2943/4885

“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.