SCHEMBL3577903

SCHEMBL3577903

Clc1ccc(Nc2cccc(-n3cccn3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
SCN9A Q15858 2/20 0.45
EGFR P00533 1/20 0.45
ERBB3 P21860 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
JAK3 P52333 1/20 0.39
NTRK2 Q16620 1/20 0.39
CAMK2A Q9UQM7 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
SCHEMBL3582326 0.87 MEN1 (0.52) SCN9AMEN1KMT2AKDM4ELMNA
SCHEMBL2885911 0.83 KDM4E (0.55) NOTUMSCN9AMEN1KMT2AKDM4E
SCHEMBL3584379 0.82 ABCG2 (0.46) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL4900680 0.82 NOTUM (0.42) NOTUMMEN1KMT2AKDM4ELMNA
SCHEMBL3582329 0.81 TNIK (0.43) NOTUMMEN1KMT2AKDM4ELMNA
SCHEMBL3579042 0.79 ABL1 (0.46) SCN9AMEN1KMT2AKDM4ELMNA
SCHEMBL3579788 0.77 SCN9A (0.42) SCN9AEGFRERBB3CNR1CNR2
SCHEMBL3569227 0.77 FLT3 (0.45) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL3581625 0.77 MEN1 (0.46) EGFRMEN1KMT2AKDM4ELMNA
SCHEMBL3577056 0.76 CNR1 (0.45) NOTUMSCN9AEGFRERBB3CNR1

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-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US claimed
EP-2114916-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-11-11 EP claimed
WO-2008092942-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-08-07 WO claimed
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US disclosed
EP-2114916-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-11-11 EP disclosed
WO-2008092942-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-08-07 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-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA3, KCNQ1 NOTUM 4438/4885SCN9A 135/4885EGFR 4540/4885

“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.