SCHEMBL5167448

SCHEMBL5167448

Cc1ccn2c(NC3CCCCC3)c(C)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
LMNA P02545 2/20 1.00
TSHR P16473 1/20 1.00
GFER P55789 3/20 0.73
TP53 P04637 1/20 0.73
ALOX5 P09917 2/20 0.69
GAA P10253 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 4/20 0.62
MAPK1 P28482 2/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ADORA1 P30542 1/20 0.51
ATM Q13315 3/20 0.51
BACE1 P56817 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL1967218 0.86 ALDH1A1 (0.76) ALDH1A1LMNATSHRGFERTP53
SCHEMBL13464314 0.86 ALDH1A1 (0.76) ALDH1A1LMNATSHRGFERTP53
SCHEMBL2986226 0.84 ALDH1A1 (0.73) ALDH1A1LMNATSHRGFERTP53
SCHEMBL1967094 0.84 ALDH1A1 (1.00) ALDH1A1LMNATSHRGFERTP53
SCHEMBL2989281 0.84 ALDH1A1 (0.73) ALDH1A1LMNATSHRGFERTP53
SCHEMBL1965236 0.83 ALDH1A1 (0.97) ALDH1A1LMNATSHRGFERTP53
SCHEMBL5168342 0.82 ALOX5 (0.82) ALDH1A1LMNATSHRGFERTP53
SCHEMBL2984315 0.82 ALDH1A1 (0.70) ALDH1A1LMNATSHRGFERTP53
SCHEMBL6642390 0.82 ALDH1A1 (0.70) ALDH1A1LMNATSHRGFERTP53
SCHEMBL2977613 0.82 ALOX5 (1.00) ALDH1A1LMNATSHRGFERTP53

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1222525-C Bicyclic imidazol-3-ylamine derivatives substituted on a six-membered ring GRUENENTHAL GMBH (DE) 2005-10-12 CN claimed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US claimed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
JP-2003517466-A 2003-05-27 JP claimed
CN-1402727-A Bicyclic imidazo-3-yl-amine derivs. which are substd. on sixth ring GRUENENTHAL GMBH (DE) 2003-03-12 CN claimed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US claimed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
CN-1222525-C Bicyclic imidazol-3-ylamine derivatives substituted on a six-membered ring GRUENENTHAL GMBH (DE) 2005-10-12 CN disclosed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
CN-1402727-A Bicyclic imidazo-3-yl-amine derivs. which are substd. on sixth ring GRUENENTHAL GMBH (DE) 2003-03-12 CN disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US disclosed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 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 (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-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring OPRK1, GRIN3A, OPRM1 ALDH1A1 974/4885LMNA 2073/4885TSHR 3226/4885
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 ALDH1A1 3066/4885LMNA 802/4885TSHR 3649/4885

“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.