SCHEMBL3579704

SCHEMBL3579704

c1cc(Nc2ccc3c(c2)OCCO3)nc(-n2cccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.47
KMT2A Q03164 3/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM1A O60341 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
GAA P10253 9/20 0.42
MAPT P10636 7/20 0.42
MAPK1 P28482 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
CDK4 P11802 1/20 0.42

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 0.77 MEN1 (0.52) KMT2AMAPTMAPK1TDP1MEN1
SCHEMBL3577903 0.76 NOTUM (0.49) KMT2AMAPTMAPK1TDP1MEN1
SCHEMBL3569227 0.75 FLT3 (0.45) KMT2AABCB1ABCC1ABCG2MAPT
SCHEMBL3581625 0.75 MEN1 (0.46) KMT2AABCB1ABCC1ABCG2MAPT
SCHEMBL3584379 0.73 ABCG2 (0.46) KMT2AABCB1ABCC1ABCG2MAPK1
SCHEMBL3577228 0.70 ALDH1A1 (0.52) KMT2AGAAMAPTTDP1SMN1; SMN2
SCHEMBL3579042 0.70 ABL1 (0.46) KMT2AMAPTMAPK1MEN1SMN1; SMN2
SCHEMBL656619 0.69 PLK1 (0.62) RHOAKMT2AADRA2AADRA2BADRA2C
SCHEMBL656388 0.68 RHOA (0.54) RHOAKMT2AABCB1ABCC1ABCG2
SCHEMBL658140 0.68 RHOA (0.57) RHOAKMT2AABCB1ABCC1ABCG2

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 RHOA 4518/4885KMT2A 1455/4885ABCB1 388/4885

“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.