SCHEMBL3322301

SCHEMBL3322301

Cc1nccc2nc(NCCN3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.42
MTOR P42345 4/20 0.42
KDM2B Q8NHM5 1/20 0.41
MCHR1 Q99705 4/20 0.40
ADRA2A P08913 2/20 0.40
NPY5R Q15761 2/20 0.40
HTR1A P08908 5/20 0.40
CHRM1 P11229 1/20 0.38
EGFR P00533 1/20 0.38
MET P08581 1/20 0.38
SRC P12931 1/20 0.38
AXL P30530 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
LIPE Q05469 1/20 0.37
SPR P35270 1/20 0.37
FGFR4 P22455 1/20 0.36

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
SCHEMBL3322017 0.85 MCHR1 (0.46) PIK3CAMTORMCHR1DRD2HTR2A
SCHEMBL3326619 0.84 PIK3CA (0.43) PIK3CAMTORKDM2BMCHR1
SCHEMBL3318951 0.83 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL3632511 0.81 KDM2B (0.42) KDM2BMCHR1ADRA2ANPY5RHTR1A
SCHEMBL3320920 0.81 PIK3CA (0.48) PIK3CAMTORHTR2A
SCHEMBL3321769 0.80 L3MBTL1 (0.49) PIK3CAMTOR
SCHEMBL3320615 0.79 KMT2A (0.48) PIK3CAMTOR
SCHEMBL3316840 0.79 ALDH1A1 (0.42) NPY5RHTR1A
SCHEMBL3632513 0.79 CHRM1 (0.40) KDM2BMCHR1ADRA2ANPY5RCHRM1
SCHEMBL3324981 0.78 TSHR (0.41)

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 PIK3CA 3160/4885MTOR 2826/4885KDM2B 3663/4885

“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.