SCHEMBL4210136

SCHEMBL4210136

Cc1cc(NCCO)nc(-n2nc(C)cc2C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
ALOX15 P16050 3/20 0.64
TP53 P04637 3/20 0.57
GLA P06280 1/20 0.56
LMNA P02545 4/20 0.56
POLB P06746 3/20 0.54
KCNN3 Q9UGI6 2/20 0.53
KCNN2 Q9H2S1 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
HIF1A Q16665 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL5501899 0.79 ALOX15 (1.00) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL4209570 0.77 NPSR1 (0.69) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL946948 0.76 HTT (0.75) ALDH1A1ALOX15TP53LMNAPOLB
Hydrochloric Acid SCHEMBL946927 0.74 HTT (0.72) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL25195278 0.74 ALDH1A1 (0.58) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL25203125 0.73 KCNN2 (0.72) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL11186961 0.73 HTT (0.66) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL11981653 0.73 ALDH1A1 (0.56) ALDH1A1GLAPOLBMAPK1MAPT
SCHEMBL4219187 0.72 TP53 (0.79) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL4215477 0.72 TP53 (1.00) ALDH1A1ALOX15TP53LMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036475-A1 Pyrazolyl-Pyrimidines as Potassium Channel Modulating Agents and Their Medical Use NEUROSEARCH A/S (DK) 2009-02-05 US disclosed
EP-1863796-A1 PYRAZOLYL-PYRIMIDINES AS POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-12 EP disclosed
WO-2006100212-A1 PYRAZOLYL-PYRIMIDINES AS POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-09-28 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-20090036475-A1 Pyrazolyl-Pyrimidines as Potassium Channel Modulating Agents and Their Medical Use KCND2, KCNJ2, KCNN3 ALDH1A1 3477/4885ALOX15 4049/4885TP53 1721/4885

“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.