SCHEMBL523610

SCHEMBL523610

COc1cc(C#N)ccc1OC1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
NSD2 O96028 1/20 0.52
AR P10275 3/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PDE10A Q9Y233 1/20 0.45
GPR6 P46095 4/20 0.44
ALK Q9UM73 1/20 0.44
CYP11B2 P19099 2/20 0.44
EGFR P00533 1/20 0.43
FLT1 P17948 1/20 0.43
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
ABL2 P42684 1/20 0.42

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
SCHEMBL2693669 0.94 HRH3 (0.61) HRH3NSD2ARPDE3BPDE3A
SCHEMBL523228 0.87 DRD2 (0.47) HRH3NSD2ARPDE3BPDE3A
SCHEMBL4228139 0.84 HRH3 (0.62) HRH3NSD2GPR6ALK
SCHEMBL4233735 0.84 HRH3 (0.56) HRH3
SCHEMBL19175298 0.83 HRH3 (0.61) HRH3NSD2GPR6ALK
SCHEMBL227505 0.83 HRH3 (0.61) HRH3GPR6
SCHEMBL647645 0.82 AR (0.47) HRH3ARGPR6CYP11B2
SCHEMBL646905 0.82 AR (0.47) HRH3ARGPR6CYP11B2
SCHEMBL523941 0.82 PDE4D (0.52) AR
SCHEMBL5649109 0.81 ABL1 (0.47) HRH3NSD2ARPDE3BPDE3A

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
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 HRH3 12/4885NSD2 933/4885AR 805/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 HRH3 12/4885NSD2 933/4885AR 805/4885

“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.