SCHEMBL19989437

SCHEMBL19989437

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
GAA P10253 2/20 0.43
SLC2A1 P11166 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MITF O75030 1/20 0.41
RAD52 P43351 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPKAPK2 P49137 2/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTK2 Q05397 2/20 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
SCHEMBL19988951 0.89 ALDH1A1 (0.40) MAPTSLC2A1MEN1NPC1RAB9A
SCHEMBL19989068 0.87 EPHB4 (0.39) MAPTGAACYP3A4LMNAPTK2
SCHEMBL19988986 0.87 MAPT (0.46) MAPTGAALMNAMEN1NPC1
SCHEMBL19988844 0.87 PIK3R2 (0.40) MAPTGAALMNAMEN1NPC1
SCHEMBL19989092 0.87 MAPT (0.52) MAPTADRA2AADRA2BADRA2CCYP1A2
SCHEMBL19989136 0.87 MAPT (0.38) MAPTGAALMNAMEN1NPC1
SCHEMBL19989075 0.87 MAPT (0.40) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL19988989 0.87 PIK3R2 (0.41) MAPTSMN1; SMN2
SCHEMBL19989069 0.86 CLK2 (0.50) MAPTLMNAPTK2TP53USP2
SCHEMBL19988917 0.86 PIK3R2 (0.39) MAPTLMNAPTK2SIRT6ALDH1A1

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 2943/4885SLC2A1 3011/4885

“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.