SCHEMBL4493810

SCHEMBL4493810

Nc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
ALOX12 P18054 1/20 0.66
SIGMAR1 Q99720 2/20 0.65
KDM4E B2RXH2 3/20 0.63
TSHR P16473 1/20 0.62
DRD4 P21917 4/20 0.61
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
GAA P10253 2/20 0.50
RAD52 P43351 1/20 0.50
GFER P55789 1/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5778432 0.88 POLB (0.59) MAPTALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL5540751 0.86 SIGMAR1 (0.65) MAPTALDH1A1LMNASIGMAR1KDM4E
SCHEMBL5540754 0.86 DRD4 (0.73) MAPTALDH1A1SIGMAR1KDM4ETSHR
SCHEMBL5545938 0.86 SIGMAR1 (0.65) MAPTALDH1A1LMNASIGMAR1KDM4E
SCHEMBL654308 0.85 DRD4 (0.77) MAPTSMN1; SMN2LMNASIGMAR1KDM4E
Hydrochloric Acid SCHEMBL9742129 0.83 DRD4 (0.74) MAPTSMN1; SMN2LMNASIGMAR1KDM4E
SCHEMBL6698997 0.83 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2744600 0.80 SIGMAR1 (0.57) MAPTALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL14758313 0.80 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNASIGMAR1
SCHEMBL4506302 0.80 POLB (0.65) MAPTALDH1A1SMN1; SMN2LMNASIGMAR1

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 16 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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
EP-1664053-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2007-01-24 EP disclosed
EP-1664053-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2006-06-07 EP disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
US-20050070554-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-03-31 US disclosed
WO-2005021551-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-03-10 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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 (5 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 MAPT 1512/4885ALDH1A1 370/4885SMN1; SMN2 1880/4885
US-20050070554-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, PAICS MAPT 2631/4885ALDH1A1 774/4885SMN1; SMN2 274/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPT 2484/4885ALDH1A1 2764/4885SMN1; SMN2 4573/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 MAPT 333/4885ALDH1A1 1063/4885SMN1; SMN2 486/4885
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 MAPT 353/4885ALDH1A1 1306/4885SMN1; SMN2 422/4885

“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.