SCHEMBL545799

SCHEMBL545799

O=[N+]([O-])c1ccnc(-c2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
PRKCA P17252 1/20 0.53
NPC1 O15118 4/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE7B Q9NP56 1/20 0.45
CYP19A1 P11511 3/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AHR P35869 1/20 0.44

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
SCHEMBL826630 0.85 TSHR (0.50) ABL1BCRPRKCANPC1MAPT
SCHEMBL546042 0.83 ABL1 (0.44) ABL1BCRPRKCANPC1PDE4D
SCHEMBL546381 0.81 ABL1 (0.59) ABL1BCRPRKCAPDE4DCYP19A1
SCHEMBL3133571 0.79 APP (0.51) ABL1NPC1MAPTRAB9ACYP1A2
SCHEMBL23365096 0.78 NPC1 (0.42) ABL1BCRPRKCANPC1PDE4D
SCHEMBL29978954 0.78 NPC1 (0.42) ABL1BCRPRKCANPC1PDE4D
SCHEMBL15535530 0.77 FAAH (0.41) NPC1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL19859330 0.76 MAPT (0.61) NPC1PKN1PKN2MAPTRAB9A
SCHEMBL545380 0.76
SCHEMBL7232176 0.76 ALDH1A1 (0.57) NPC1PDE4DMAPTRAB9ALMNA

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 ABL1 37/4885BCR 539/4885PRKCA 18/4885

“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.