SCHEMBL19989245

SCHEMBL19989245

Cc1cc(Nc2cc(N3CCOCC3)cc(Br)c2[N+](=O)[O-])c2cccc(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 5/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 6/20 0.39
PIK3C2B O00750 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
PIK3CB P42338 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
SCHEMBL19988892 0.86 PIK3R2 (0.41) PIK3R2MAPTMAPK1
SCHEMBL19989205 0.78 PIK3R2 (0.43) PIK3R2MAPTPIK3C2BKMT2AMAPK1
SCHEMBL19989032 0.77 PIK3R2 (0.42) PIK3R2MAPTPIK3CB
SCHEMBL19988870 0.77 PIK3R2 (0.40) PIK3R2MAPT
SCHEMBL19989026 0.76 MAPT (0.40) PIK3R2MAPTPIK3C2BKMT2AMAPK1
SCHEMBL19989254 0.76 PIK3R2 (0.42) PIK3R2MAPT
SCHEMBL19989258 0.75 SLC2A1 (0.47) MAPTKMT2AALDH1A1MAPK1POLB
SCHEMBL19989147 0.74 PIK3R2 (0.42) PIK3R2MAPT
SCHEMBL19989075 0.73 MAPT (0.40) PIK3R2MAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL19988880 0.73 MAPT (0.41) PIK3R2NPSR1L3MBTL1MAPTPIK3C2B

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 18/4885NPSR1 2243/4885L3MBTL1 1511/4885

“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.