SCHEMBL19989258

SCHEMBL19989258

O=[N+]([O-])c1c(Br)cc(N2CCOCC2)cc1Nc1ccnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
MITF O75030 1/20 0.42
RAD52 P43351 1/20 0.42
MAPT P10636 5/20 0.42
MAPKAPK2 P49137 2/20 0.42
BMPR1B O00238 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL19989352 0.88 SLC2A1 (0.43) SLC2A1RAD52MAPTMAPKAPK2ALDH1A1
SCHEMBL19988892 0.85 PIK3R2 (0.41) SLC2A1MAPTMAPK1
SCHEMBL19989032 0.85 PIK3R2 (0.42) MAPT
SCHEMBL19989437 0.84 MAPT (0.43) SLC2A1ADRA2AADRA2BADRA2CMITF
SCHEMBL19989131 0.80 PIK3R2 (0.42) SLC2A1MAPTMAPKAPK2MAPK1MEN1
SCHEMBL19989254 0.80 PIK3R2 (0.42) SLC2A1MAPTMAPKAPK2
SCHEMBL19988870 0.79 PIK3R2 (0.40) MAPT
SCHEMBL19988909 0.77 PIK3R2 (0.42) MAPT
SCHEMBL19989147 0.77 PIK3R2 (0.42) MAPT
SCHEMBL19989245 0.75 PIK3R2 (0.41) MAPTALDH1A1MAPK1KMT2APOLB

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 SLC2A1 3011/4885ADRA2A 3049/4885ADRA2B 2382/4885

“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.