SCHEMBL2018077

SCHEMBL2018077

Clc1ccc(Nc2ccnc(-c3ccccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
KMT2A Q03164 4/20 0.48
KCNH2 Q12809 1/20 0.48
SCN9A Q15858 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL22186617 0.88 KMT2A (0.59) GRM5KMT2AABCG2L3MBTL1CYP1A2
SCHEMBL2019360 0.84 EGFR (0.55) GRM5KMT2AKCNH2SCN9AABCG2
SCHEMBL2823612 0.83 SLC2A1 (0.57) GRM5KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL2019268 0.81 KMT2A (0.65) GRM5KMT2AABCG2L3MBTL1CYP1A2
SCHEMBL5486449 0.78 KMT2A (0.81) KMT2AKCNH2L3MBTL1CYP1A2CYP2D6
SCHEMBL9489007 0.76 L3MBTL1 (0.65) GRM5KMT2AL3MBTL1CYP1A2CYP2C19
SCHEMBL29850051 0.76 NPC1 (0.60) KMT2AKCNH2SCN9AALDH1A1KDM4E
SCHEMBL21258999 0.76 NPC1 (0.60) KMT2AKCNH2SCN9AALDH1A1KDM4E
SCHEMBL2885850 0.75 CDK2 (0.49) KMT2AKCNH2SCN9AL3MBTL1CYP1A2
SCHEMBL5475320 0.75 FFAR1 (0.56) KMT2ATDP1MEN1MAPK1

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 GRM5 483/4885KMT2A 1374/4885KCNH2 9/4885

“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.