SCHEMBL3321769

SCHEMBL3321769

Cc1nccc2nc(NCCN3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.44
GBA1 P04062 2/20 0.42
HSD11B1 P28845 1/20 0.41
CCR6 P51684 3/20 0.41
GAA P10253 2/20 0.40
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
KDM4E B2RXH2 3/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
NMT1 P30419 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
SCHEMBL3320615 0.92 KMT2A (0.48) ALDH1A1GBA1HSD11B1CCR6GAA
SCHEMBL3320920 0.90 PIK3CA (0.48) ALDH1A1KDM4EPIK3CAMTORMEN1
SCHEMBL3323479 0.89 PIK3CA (0.42) L3MBTL1ALDH1A1GAAKDM4EPIK3CA
SCHEMBL3318951 0.89 PIK3CA (0.47) ALDH1A1HSD11B1GAAKDM4EPIK3CA
SCHEMBL3322017 0.89 MCHR1 (0.46) L3MBTL1GBA1PIK3CAMTORMEN1
SCHEMBL3320279 0.88 PIK3CA (0.48) L3MBTL1ALDH1A1GAAKDM4EPIK3CA
SCHEMBL3324511 0.88 NMT1 (0.43) L3MBTL1ALDH1A1GBA1GAAPIK3CA
SCHEMBL3326349 0.86 PIK3CA (0.51) ALDH1A1HSD11B1CCR6GAAPIK3CA
SCHEMBL3321556 0.85 L3MBTL1 (0.44) L3MBTL1GBA1CCR6GAACCNK
SCHEMBL3321712 0.85 HTR1A (0.46)

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 9 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
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
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 L3MBTL1 2846/4885ALDH1A1 4397/4885GBA1 1453/4885

“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.