SCHEMBL3324464

SCHEMBL3324464

Cc1nccc2nc(NCC(C)(C)CN(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
LATS1 O95835 2/20 0.41
MCHR1 Q99705 1/20 0.41
NUDT1 P36639 3/20 0.39
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRKD3 O94806 2/20 0.34
MAPK9 P45984 2/20 0.34
CSNK1A1 P48729 2/20 0.34
CSNK1D P48730 2/20 0.34
GSK3B P49841 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34

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
SCHEMBL3322480 0.79 HRH3 (0.55) KDM4EALDH1A1KMT2AMAP4K4HRH3
SCHEMBL3323533 0.77 RAD52 (0.49) BRD4MCHR1ALDH1A1KMT2AHRH3
SCHEMBL3320947 0.75 NUDT1 (0.35) BRD4LATS1NUDT1PIM2PDE3B
SCHEMBL3322501 0.71 ALDH1A1 (0.55) KDM4EALDH1A1KMT2AMEN1MAP4K4
SCHEMBL3320763 0.70 MCHR1 (0.39) MCHR1KDM4EALDH1A1PDE3BPDE3A
2,2,3-Trimethylbutane SCHEMBL12017320 0.68 PDE3B (0.38) BRD4KDM4EALDH1A1PDE3BPDE3A
SCHEMBL13827764 0.67 BRD4 (0.55) BRD4LATS1KDM4EALDH1A1PRKD3
SCHEMBL3321755 0.67 HRH3 (0.47) KDM4EALDH1A1MAP4K4CLK4HRH3
SCHEMBL21481038 0.66 CYP2A6 (0.42) NUDT1KDM4EALDH1A1KMT2AMEN1
SCHEMBL3322417 0.66 HRH3 (0.49) ALDH1A1MAP4K4CLK4HRH3CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US claimed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO claimed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 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 (1 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-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 BRD4 4457/4885LATS1 1954/4885MCHR1 172/4885

“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.