SCHEMBL4834583

SCHEMBL4834583

Cc1cc(Nc2cccc(OCCCNCCc3ccccc3)c2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
NCF1 P14598 1/20 0.45
MITF O75030 1/20 0.43

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
SCHEMBL4631950 0.97 TSHR (0.62) TSHRHTTKMT2ALMNANPC1
SCHEMBL4832247 0.95 TSHR (0.60) TSHRHTTKMT2ALMNANPC1
SCHEMBL4832413 0.92 TSHR (0.66) TSHRHTTLMNANPC1ABCB1
SCHEMBL4633382 0.91 TSHR (0.62) TSHRHTTLMNANPC1ABCB1
SCHEMBL4633373 0.88 TSHR (0.64) TSHRHTTKMT2ALMNANPC1
SCHEMBL4832331 0.87 TSHR (0.60) TSHRHTTKMT2ALMNANPC1
SCHEMBL4828030 0.87 TSHR (0.69) TSHRHTTKMT2ALMNANPC1
SCHEMBL4832182 0.85 TSHR (0.58) TSHRHTTKMT2ALMNANPC1
SCHEMBL4832602 0.85 TSHR (0.69) TSHRHTTKMT2ALMNANPC1
SCHEMBL4632728 0.84 TSHR (0.59) TSHRHTTKMT2ALMNANPC1

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 11 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
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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 (2 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885KMT2A 4263/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885KMT2A 4263/4885

“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.