SCHEMBL3318951

SCHEMBL3318951

Cc1nccc2nc(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.47
MTOR P42345 3/20 0.47
ALDH1A1 P00352 5/20 0.44
HSD11B1 P28845 1/20 0.43
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3323479 0.92 PIK3CA (0.42) PIK3CAMTORALDH1A1POLBTP53
SCHEMBL3324511 0.91 NMT1 (0.43) PIK3CAMTORALDH1A1MAPTHTT
SCHEMBL3320279 0.91 PIK3CA (0.48) PIK3CAMTORALDH1A1POLBMAPT
SCHEMBL3320920 0.91 PIK3CA (0.48) PIK3CAMTORALDH1A1POLBMAPT
SCHEMBL3326349 0.89 PIK3CA (0.51) PIK3CAMTORALDH1A1HSD11B1POLB
SCHEMBL3320615 0.89 KMT2A (0.48) PIK3CAMTORALDH1A1HSD11B1POLB
SCHEMBL3321769 0.89 L3MBTL1 (0.49) PIK3CAMTORALDH1A1HSD11B1MAPT
SCHEMBL3321556 0.89 L3MBTL1 (0.44) PIK3CAMTORMAPTGAA
SCHEMBL3319063 0.88 LMNA (0.47) PIK3CAMTORALDH1A1HSD11B1POLB
SCHEMBL3316840 0.87 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ELMNAHSD17B10

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 PIK3CA 3160/4885MTOR 2826/4885ALDH1A1 4397/4885

“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.