SCHEMBL714057

SCHEMBL714057

N#Cc1cnn(-c2ccc(F)c(Cl)c2)c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 1/20 0.65
XDH P47989 2/20 0.52
MAPT P10636 2/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
TP53 P04637 1/20 0.40
AR P10275 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
KHK P50053 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KAT2B Q92831 2/20 0.38
MAPK14 Q16539 2/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL1143771 0.82 KMT2A (0.71) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL2860509 0.81 RPS6KB1 (0.42) KMT2AKDM4EMEN1XDHRXRA
SCHEMBL1143393 0.80 KMT2A (0.70) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL3875714 0.79 KMT2A (0.58) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL3871259 0.79 KMT2A (1.00) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL13430476 0.79 XDH (0.64) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL1457049 0.77 KMT2A (0.70) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL13799335 0.76 XDH (0.57) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL13430465 0.76 XDH (0.53) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL8041717 0.75 KMT2A (0.70) KMT2AKDM4EMEN1XDHMAPT

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
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (3 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A KMT2A 1945/4885KDM4E 2087/4885MEN1 4426/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 KMT2A 2659/4885KDM4E 2869/4885MEN1 4543/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KMT2A 2659/4885KDM4E 2869/4885MEN1 4543/4885

“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.