SCHEMBL5214149

SCHEMBL5214149

CCc1ccncc1NC(=NC#N)NC(NC(=O)c1ccc(Cl)cc1F)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
TRPA1 O75762 1/20 0.40
S1PR3 Q99500 4/20 0.38
NUDT1 P36639 1/20 0.36
CTSB P07858 1/20 0.36
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
TGFBR1 P36897 9/20 0.35
ACVR1B P36896 7/20 0.35
ACVRL1 P37023 5/20 0.35
ACVR1 Q04771 2/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL5214144 1.00 CYP11B2 (0.40) CYP11B2TRPA1S1PR3NUDT1CTSB
SCHEMBL5216788 0.93 CYP11B2 (0.40) CYP11B2TRPA1S1PR3NUDT1CTSB
SCHEMBL5216793 0.93 CYP11B2 (0.40) CYP11B2TRPA1S1PR3NUDT1CTSB
SCHEMBL5215781 0.86 KCNJ11 (0.48) ABCC9ABCC8KCNJ11KCNJ8P2RX7
SCHEMBL5215775 0.86 KCNJ11 (0.48) ABCC9ABCC8KCNJ11KCNJ8P2RX7
SCHEMBL4683253 0.84 CYP11B2 (0.58) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4683251 0.84 CYP11B2 (0.58) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5217156 0.83 CYP11B2 (0.44) CYP11B2TRPA1S1PR3CTSBABCC9
SCHEMBL5217168 0.83 CYP11B2 (0.44) CYP11B2TRPA1S1PR3CTSBABCC9
SCHEMBL5215230 0.75 CYP11B2 (0.44) CYP11B2TRPA1S1PR3CTSBABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP claimed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US claimed
JP-2003506355-A 2003-02-18 JP claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO claimed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 CYP11B2 851/4885TRPA1 104/4885S1PR3 1595/4885

“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.