SCHEMBL12005158

SCHEMBL12005158

O=[N+]([O-])c1ccc(N2CCN3CCCCC3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 4/20 0.56
SIRT6 Q8N6T7 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
ADRB1 P08588 1/20 0.47
MAPK1 P28482 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR6 P50406 1/20 0.45

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
SCHEMBL12005432 0.96 MEN1 (0.63) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL12005434 0.96 MEN1 (0.63) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL12006741 0.96 MEN1 (0.63) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL2127519 0.92 MAPT (0.59) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL5742634 0.88 MEN1 (0.76) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL1045268 0.87 MEN1 (0.74) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL1043500 0.85 MEN1 (0.76) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL520818 0.85 LMNA (0.63) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL520213 0.84 MAPT (0.54) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL22466099 0.83 MEN1 (0.77) MEN1KMT2AMAPTSIRT6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 MEN1 1474/4885KMT2A 961/4885MAPT 2484/4885

“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.