SCHEMBL4832005

SCHEMBL4832005

Cc1cc(Nc2cccc(NC(=O)NC3CCN(Cc4ccccc4)C3)c2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 7/20 0.58
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
UBE2M P61081 5/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CCR3 P51677 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
F10 P00742 1/20 0.51
HPN P05981 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
HGFAC Q04756 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
NPC1 O15118 1/20 0.50
ACP1 P24666 1/20 0.48

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
SCHEMBL6079692 0.89 SIGMAR1 (0.59) DCUN1D1KMT2ADRD2DRD4DRD3
SCHEMBL6078750 0.89 SIGMAR1 (0.59) DCUN1D1KMT2ADRD2DRD4DRD3
SCHEMBL6078746 0.89 SIGMAR1 (0.59) DCUN1D1KMT2ADRD2DRD4DRD3
SCHEMBL4828272 0.88 DRD2 (0.59) KMT2ADRD2DRD4SIGMAR1NPC1
SCHEMBL6079258 0.84 DRD2 (0.54) DCUN1D1DRD2DRD4DRD3CCR3
SCHEMBL6080389 0.84 MCHR1 (0.54) DCUN1D1DRD2DRD4DRD3CCR3
SCHEMBL4834283 0.83 KMT2A (0.57) DCUN1D1KMT2ADRD2DRD4SIGMAR1
SCHEMBL6078429 0.82 SIGMAR1 (0.52) DCUN1D1KMT2AALDH1A1POLBDRD2
SCHEMBL6080229 0.82 CCR3 (0.59) CCR3SIGMAR1
SCHEMBL6080158 0.81 CXCR3 (0.54) KMT2ADRD2DRD4DRD3SIGMAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 DCUN1D1 4266/4885KMT2A 4263/4885ALDH1A1 3771/4885

“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.