SCHEMBL4259504

SCHEMBL4259504

CCC(NC(=NC#N)Nc1cccnc1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.47
KCNJ11 Q14654 12/20 0.47
ABCC8 Q09428 8/20 0.47
KCNJ8 Q15842 8/20 0.47
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.43
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL7357460 1.00 ABCC9 (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL13949289 1.00 ABCC9 (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL7356810 0.87 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4258463 0.87 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL13949284 0.87 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL8775014 0.87 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL7356807 0.87 KMT2A (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL7348934 0.80 EPHX2 (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL7348937 0.80 EPHX2 (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL7348948 0.80 EPHX2 (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP claimed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US claimed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO claimed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP disclosed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US disclosed
WO-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 ABCC9 384/4885KCNJ11 18/4885ABCC8 415/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME ABCC9 482/4885KCNJ11 24/4885ABCC8 605/4885

“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.