SCHEMBL2019360

SCHEMBL2019360

Clc1ccc(Nc2ccnc(-c3cccc(Cl)n3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
ERBB3 P21860 1/20 0.55
SCN9A Q15858 3/20 0.47
KCNH2 Q12809 1/20 0.47
PLK1 P53350 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ROCK1 Q13464 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 4/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 3/20 0.41
TSHR P16473 1/20 0.41
KDR P35968 3/20 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
SCHEMBL2018077 0.84 GRM5 (0.56) EGFRERBB3SCN9AKCNH2ABCG2
SCHEMBL2014797 0.78 TGFBR1 (0.60) EGFRERBB3ABCG2CYP1A2CYP3A4
SCHEMBL2016421 0.76 IDH1 (0.41) CYP3A4TSHRGRM5
SCHEMBL19700440 0.72 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL379222 0.72 AURKA (0.69) SCN9AKCNH2PLK1ALDH1A1KDR
SCHEMBL22186617 0.71 KMT2A (0.59) ABCG2ROCK1CYP1A2CYP3A4CYP2D6
SCHEMBL2015212 0.70 IDH1 (0.38) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31337029 0.70 SCN9A (0.82) SCN9AKCNH2ROCK1HTR3EHTR3B
SCHEMBL23887627 0.69 GRM5 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30369941 0.69 GRM5 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US claimed
EP-2066655-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-06-10 EP claimed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 WO claimed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
EP-2066655-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-06-10 EP disclosed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 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-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCNJ2, KCNN2, KCNN1 EGFR 4589/4885ERBB3 3759/4885SCN9A 146/4885

“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.