SCHEMBL4336239

SCHEMBL4336239

O=[N+]([O-])c1ccc(N2CCC(N3CCCC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.69
L3MBTL1 Q9Y468 5/20 0.69
MAPT P10636 4/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MBTD1 Q05BQ5 3/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
SIRT6 Q8N6T7 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
ADRB1 P08588 1/20 0.55
TP53BP1 Q12888 2/20 0.55
L3MBTL4 Q8NA19 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL3574460 0.98 MAPT (0.71) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL77340 0.98 MAPT (0.71) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL2127519 0.91 MAPT (0.59) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL521556 0.88 KMT2A (0.64) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL22466099 0.88 MEN1 (0.77) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL1043500 0.88 MEN1 (0.76) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL5742634 0.88 MEN1 (0.76) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL22489080 0.87 MEN1 (0.64) L3MBTL3L3MBTL1MAPTMEN1KMT2A
SCHEMBL1046692 0.87 MEN1 (0.86) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL4191910 0.87 SIRT6 (0.72) L3MBTL3L3MBTL1MAPTMEN1KMT2A

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 14 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
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN 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
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 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 (2 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 L3MBTL3 3681/4885L3MBTL1 2799/4885MAPT 1975/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 L3MBTL3 2560/4885L3MBTL1 1460/4885MAPT 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.