SCHEMBL4683978

SCHEMBL4683978

COc1ncccc1N/C(N)=N\C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
KCNJ11 Q14654 1/20 0.40
APLNR P35414 1/20 0.39
ATR Q13535 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PLAU P00749 1/20 0.36
AR P10275 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 1/20 0.35
LRRK2 Q5S007 1/20 0.35
POLB P06746 1/20 0.34
TYK2 P29597 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
SCHEMBL4683979 1.00 P2RX7 (0.41) P2RX7KCNJ11APLNRATRGRIN2D
SCHEMBL6400986 0.81 P2RX7 (0.37) P2RX7ATRGRIN2DGRIN3BGRIN1
SCHEMBL6400987 0.81 P2RX7 (0.37) P2RX7ATRGRIN2DGRIN3BGRIN1
SCHEMBL4682237 0.78 MAPT (0.50) ALDH1A1POLBKDM4EGAAMAPT
SCHEMBL4682241 0.78 MAPT (0.50) ALDH1A1POLBKDM4EGAAMAPT
SCHEMBL14257398 0.78 P2RX7 (0.39) P2RX7KCNJ11APLNRATRSLC22A12
SCHEMBL6406108 0.78 ATR (0.38) ATRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6406103 0.78 ATR (0.38) ATRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6402225 0.78 MAPT (0.44) P2RX7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6402220 0.78 MAPT (0.44) P2RX7GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 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
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 P2RX7 2/4885KCNJ11 59/4885APLNR 735/4885
US-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 P2RX7 367/4885KCNJ11 2/4885APLNR 2506/4885

“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.