SCHEMBL937869

SCHEMBL937869

Cn1ncc(C(=O)Nc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
PPARG P37231 1/20 0.48

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
SCHEMBL354031 0.79 GAA (0.43) PKMKMT2AMEN1NPC1RAB9A
SCHEMBL939409 0.78 NPC1 (0.52) PKMKMT2AMEN1NPC1RAB9A
SCHEMBL7527555 0.78 NPC1 (0.52) PKMKMT2AMEN1NPC1RAB9A
SCHEMBL28015618 0.78 NPC1 (0.42) PKMKMT2AMEN1NPC1RAB9A
SCHEMBL28015619 0.77 MEN1 (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL939974 0.77 POLB (0.44) PKMKMT2AMEN1POLBCYP3A4
SCHEMBL17469085 0.77 PKM (0.39) PKMKMT2AMEN1NPC1RAB9A
Benzamide SCHEMBL27827170 0.74 TSHR (0.43) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7321402 0.74 ORAI1 (0.60) SMN1; SMN2MAPTTP53
SCHEMBL3060859 0.72 MEN1 (0.39) PKMKMT2AMEN1SMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
EP-2220089-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2010-08-25 EP disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 WO disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA PKM 1791/4885KMT2A 3494/4885MEN1 3470/4885

“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.