SCHEMBL3579788

SCHEMBL3579788

Clc1ccc(Nc2cccc(-n3cc(Br)cn3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
EGFR P00533 1/20 0.42
ERBB3 P21860 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
IDO1 P14902 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALPG P10696 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGPAT2 O15120 5/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 2/20 0.33
SCN5A Q14524 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL3577903 0.77 NOTUM (0.49) SCN9AEGFRERBB3CNR1CNR2
SCHEMBL4897073 0.72 GRIN2D (0.38) MAPTMEN1RAB9AKMT2AKDM4E
SCHEMBL4015010 0.71 CCNT1 (0.46) SCN9AEGFRERBB3CNR1CNR2
SCHEMBL3577056 0.70 CNR1 (0.45) SCN9AEGFRERBB3CNR1CNR2
SCHEMBL4899608 0.69 CYP1A2 (0.41) EGFRMAPTMEN1RAB9AKMT2A
SCHEMBL3578621 0.68 CNR1 (0.48) SCN9AEGFRERBB3CNR1CNR2
SCHEMBL182108 0.68 MEN1 (0.47) MAPTMEN1RAB9AKMT2AKDM4E
SCHEMBL29620951 0.67 EGLN1 (0.47) CNR2KMT2AALDH1A1NPC1CYP1A2
SCHEMBL22925971 0.67 EGLN1 (0.47) CNR2KMT2AALDH1A1NPC1CYP1A2
SCHEMBL4899881 0.67 TSHR (0.39) MAPTMEN1RAB9AKMT2AKDM4E

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 SCN9A 135/4885EGFR 4540/4885ERBB3 3819/4885

“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.