SCHEMBL3585157

SCHEMBL3585157

O=[N+]([O-])c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 3/20 0.53
LTA4H P09960 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
KCNJ1 P48048 2/20 0.51
KCNH2 Q12809 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.49
FKBP1A P62942 1/20 0.49

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
SCHEMBL3271959 0.98 HRH3 (0.59) HRH3MAPTLMNAKDM4EGAA
SCHEMBL3995356 0.91 HRH3 (0.57) HRH3MAPTLMNAKDM4EGAA
SCHEMBL28783674 0.88 ALDH1A1 (0.68) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL2378489 0.87 PKM (0.66) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL5451069 0.84 KMT2A (0.61) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3161019 0.84 ALDH1A1 (0.51) MAPTLMNAKDM4EGAASMN1; SMN2
SCHEMBL4189768 0.82 CYP1A2 (0.58) HRH3MAPTLMNAKDM4EGAA
SCHEMBL14574150 0.80 ALDH1A1 (0.81) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL2378167 0.80 KMT2A (0.70) MAPTLMNAKDM4EGAASMN1; SMN2
SCHEMBL15544925 0.79 MAPT (0.50) HRH3MAPTLMNAKDM4EGAA

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 13 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
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (3 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HRH3 2899/4885MAPT 1650/4885LMNA 4717/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 HRH3 1259/4885MAPT 2484/4885LMNA 3229/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 HRH3 3666/4885MAPT 2433/4885LMNA 4604/4885

“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.