SCHEMBL3323533

SCHEMBL3323533

Cc1nccc2nc(NCCCN(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
SLC2A1 P11166 1/20 0.49
APOBEC3A P31941 1/20 0.49
RAB9A P51151 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
FERMT2 Q96AC1 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
DNM2 P50570 2/20 0.46
TOP2A P11388 2/20 0.44
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.40
CYP2C19 P33261 1/20 0.40
TERT O14746 1/20 0.39
HRH2 P25021 1/20 0.39

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 0.93 HRH3 (0.55) RAD52KMT2APOLBNPC1SLC2A1
SCHEMBL3320763 0.81 MCHR1 (0.39) HRH3DNM2ALDH1A1CYP2C19MCHR1
SCHEMBL3324464 0.77 BRD4 (0.44) KMT2AFERMT2HRH3BRD4ALDH1A1
SCHEMBL3322526 0.77 NMT1 (0.48) RAD52SLC2A1HRH3
SCHEMBL3320312 0.77 HRH3 (0.51) HRH3HRH2HRH1
SCHEMBL3321591 0.77 HRH3 (0.51) HRH3HRH2HRH1
SCHEMBL3322382 0.75 KDM4E (0.53) RAD52KMT2APOLBNPC1RAB9A
SCHEMBL3320403 0.75 CACNA2D1 (0.43) HRH3
SCHEMBL6619950 0.75 RAD52 (0.59) RAD52KMT2APOLBNPC1SLC2A1
SCHEMBL3321755 0.75 HRH3 (0.47) HRH3TOP2AALDH1A1CYP2C19

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
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US claimed
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 RAD52 2928/4885KMT2A 3837/4885POLB 3504/4885

“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.