Sugi Predict

Sugi Predict / Compounds / SCHEMBL62372

SCHEMBL62372

SCHEMBL62372

Cc1c(N)ccc(C(C)C)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28455887 0.83 POLB (0.36) CYP3A4TSHRPIK3CAPOLBGAA
SCHEMBL2907892 0.79 CYP3A4 (0.42) CYP3A4TSHRPIK3CAPOLBGAA
SCHEMBL117623 0.77 CYP3A4 (0.40) CYP3A4TSHRPIK3CAPOLBGAA
SCHEMBL17914480 0.77 LMNA (0.35) CYP3A4TSHRTRPA1LMNACHRM1
SCHEMBL27982658 0.76 CYP3A4 (0.48) CYP3A4TSHRPIK3CAPOLBGAA
SCHEMBL1198813 0.72 ALDH1A1 (0.44) CYP3A4TSHRPIK3CAPOLBGAA
SCHEMBL29566675 0.72 ALDH1A1 (0.44) CYP3A4TSHRPIK3CAPOLBGAA
SCHEMBL29036816 0.71 POLB (0.42) CYP3A4TSHRPOLBGAAGFER
SCHEMBL28457584 0.70 CYP3A4 (0.38) CYP3A4TSHRPIK3CAPOLBGAA
SCHEMBL6410832 0.70 CYP3A4 (0.37) CYP3A4TSHRPIK3CAPOLBALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 — — US disclosed
EP-1745024-B1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NOVARTIS INT PHARM LTD (BM) 2012-04-25 — — EP disclosed
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 — — EP disclosed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 — — US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 — — US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 — — US disclosed
US-7915288-B2 1-aryl-4-substituted isoquinolines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-29 — — US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 — — US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 — — US disclosed
EP-1745033-A4 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORP (US) 2009-08-26 — — EP disclosed
EP-1745024-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP disclosed
EP-1745039-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES Neurogen Corporation (US) 2007-01-24 — — EP disclosed
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP disclosed
WO-2006004589-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES NEUROGEN CORPORATION (US) 2006-01-12 — — WO disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 — — US disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO disclosed
WO-2005110991-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 — — EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 — — US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 — — 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 (5 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 CYP3A4 935/4885TSHR 231/4885PIK3CA 1225/4885
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 CYP3A4 952/4885TSHR 242/4885PIK3CA 821/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 CYP3A4 1040/4885TSHR 280/4885PIK3CA 888/4885
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 CYP3A4 358/4885TSHR 3648/4885PIK3CA 1027/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 CYP3A4 928/4885TSHR 323/4885PIK3CA 1083/4885

“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.