SCHEMBL4258463

SCHEMBL4258463

CC[C@@H](NC(=NC#N)Nc1cccnc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 2/20 0.47
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
EPHX2 P34913 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13949284 1.00 KMT2A (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL8775014 1.00 KMT2A (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL7356807 1.00 KMT2A (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL7356810 1.00 KMT2A (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL7348934 0.90 EPHX2 (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL7348948 0.90 EPHX2 (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL7348937 0.90 EPHX2 (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL7357460 0.87 ABCC9 (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4259504 0.87 ABCC9 (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL13949289 0.87 ABCC9 (0.47) KMT2ACYP1A2CYP3A4CYP2D6MEN1

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 8 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-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 KMT2A 1771/4885CYP1A2 3075/4885CYP3A4 2037/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME KMT2A 2203/4885CYP1A2 3716/4885CYP3A4 3579/4885

“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.