SCHEMBL3584379

SCHEMBL3584379

N#Cc1ccc(Nc2cccc(-n3cccn3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.46
ABCB1 P08183 6/20 0.43
GRM5 P41594 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCC1 P33527 3/20 0.39
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
SLC34A1 Q06495 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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 0.83 MEN1 (0.52) GRM5LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3577903 0.82 NOTUM (0.49) LMNASMN1; SMN2KDM4EMEN1MAPK1
SCHEMBL3579042 0.76 ABL1 (0.46) LMNASMN1; SMN2KDM4EMEN1MAPK1
SCHEMBL3581625 0.73 MEN1 (0.46) ABCG2ABCB1LMNASMN1; SMN2KDM4E
SCHEMBL3569227 0.73 FLT3 (0.45) ABCG2ABCB1LMNASMN1; SMN2KDM4E
SCHEMBL3579704 0.73 RHOA (0.47) ABCG2ABCB1LMNASMN1; SMN2KDM4E
SCHEMBL2952613 0.72 GRM5 (0.48) GRM5KDM4EMAPK1ALDH1A1
SCHEMBL15688270 0.71 EGFR (0.54) ABCG2ABCB1LMNASMN1; SMN2KDM4E
SCHEMBL31178105 0.71 ALDH1A1 (0.36) GRM5LMNASMN1; SMN2KDM4EMEN1
SCHEMBL199306 0.71 ALDH1A1 (0.65) GRM5LMNASMN1; SMN2KDM4EMEN1

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 ABCG2 494/4885ABCB1 388/4885GRM5 471/4885

“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.