SCHEMBL3578621

SCHEMBL3578621

O=C(O)c1ccn(-c2cccc(Nc3ccc(Cl)cc3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
CNR2 P34972 1/20 0.48
SCN9A Q15858 2/20 0.40
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DHODH Q02127 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
GBA1 P04062 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL3583947 0.86 CNR1 (0.45) CNR1CNR2SCN9AEGFRERBB3
SCHEMBL3575055 0.83 HTT (0.44) CNR1CNR2EGFRMAPTRAB9A
SCHEMBL3577056 0.80 CNR1 (0.45) CNR1CNR2SCN9AEGFRERBB3
SCHEMBL3577903 0.74 NOTUM (0.49) CNR1CNR2SCN9AEGFRERBB3
SCHEMBL15754423 0.71 RPA1 (0.50) LMNAMAPTRAB9AMEN1KMT2A
SCHEMBL25310959 0.69 RAB9A (0.64) LMNAMAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL29466342 0.69 RAB9A (0.64) LMNAMAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL15760333 0.69 MAPT (0.47) CNR1CNR2LMNAMAPTRAB9A
SCHEMBL3579788 0.68 SCN9A (0.42) CNR1CNR2SCN9AEGFRERBB3
SCHEMBL31587999 0.67 POLB (0.58) LMNAMEN1KMT2AKDM4ETDP1

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 CNR1 608/4885CNR2 470/4885SCN9A 135/4885

“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.