SCHEMBL3322480

SCHEMBL3322480

Cc1nccc2nc(NCCN(C)C)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
CYP2C19 P33261 1/20 0.48
DNM2 P50570 2/20 0.47
NCF1 P14598 2/20 0.44
MAP4K4 O95819 1/20 0.42
TOP2A P11388 1/20 0.41
POLB P06746 3/20 0.40
RAD52 P43351 3/20 0.40
SLC2A1 P11166 2/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3A P31941 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
FERMT2 Q96AC1 1/20 0.40
SMARCA2 P51531 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 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
SCHEMBL3323533 0.93 RAD52 (0.49) HRH3CYP2C19DNM2TOP2APOLB
SCHEMBL3320763 0.85 MCHR1 (0.39) HRH3CYP2C19DNM2HRH4KDM4E
SCHEMBL3324464 0.79 BRD4 (0.44) HRH3MAP4K4KMT2AFERMT2KDM4E
SCHEMBL3321755 0.76 HRH3 (0.47) HRH3CYP2C19MAP4K4TOP2ASMARCA2
SCHEMBL3322501 0.75 ALDH1A1 (0.55) CYP2C19MAP4K4KMT2AKDM4EALDH1A1
SCHEMBL3320637 0.75 HRH3 (0.49) HRH3CYP2C19MAP4K4TOP2ASMARCA2
SCHEMBL3322417 0.75 HRH3 (0.49) HRH3CYP2C19MAP4K4TOP2ASMARCA2
SCHEMBL3633687 0.74 ALDH1A1 (0.45) HRH3CYP2C19MAP4K4SLC2A1KMT2A
SCHEMBL3322526 0.73 NMT1 (0.48) HRH3RAD52SLC2A1HRH4
SCHEMBL3321591 0.73 HRH3 (0.51) HRH3

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-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

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 HRH3 265/4885CYP2C19 2726/4885DNM2 3970/4885

“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.