SCHEMBL3569227

SCHEMBL3569227

COc1ccc(Nc2cccc(-n3cccn3)n2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.45
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
KIT P10721 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
MAPT P10636 2/20 0.43
IGF1R P08069 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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 0.78 MEN1 (0.52) MAPTSMN1; SMN2HTTKDM4EMEN1
SCHEMBL3577903 0.77 NOTUM (0.49) MAPTSMN1; SMN2HTTKDM4EMEN1
SCHEMBL3581625 0.76 MEN1 (0.46) JAK2MAPTIGF1RSMN1; SMN2HTT
SCHEMBL3579704 0.75 RHOA (0.47) MAPTSMN1; SMN2HTTKDM4EMEN1
SCHEMBL3584379 0.73 ABCG2 (0.46) SMN1; SMN2HTTKDM4EMEN1LMNA
SCHEMBL3579042 0.73 ABL1 (0.46) MAPTSMN1; SMN2HTTKDM4EMEN1
SCHEMBL3577228 0.71 ALDH1A1 (0.52) MAPTSMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL24921154 0.70 KDM4E (0.46) MAPTSMN1; SMN2KDM4EMEN1MAPK1
SCHEMBL27932708 0.70 NOTUM (0.49) MAPTKDM4EMAPK1CYP1A2CYP2C9
SCHEMBL31517450 0.70 KDM4E (0.46) MAPTSMN1; SMN2KDM4EMEN1MAPK1

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 FLT3 1982/4885AURKA 853/4885JAK2 2775/4885

“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.