SCHEMBL6101938

SCHEMBL6101938

Clc1ccnc(-c2ccccn2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
TDP1 Q9NUW8 4/20 0.59
GRM5 P41594 4/20 0.57
ALDH1A1 P00352 1/20 0.54
TP53 P04637 2/20 0.54
L3MBTL1 Q9Y468 4/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
METAP1 P53582 3/20 0.50
ALOX15 P16050 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
ALPL P05186 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL1193223 0.84 GRM5 (0.62) KDM4EGRM5ALDH1A1TP53L3MBTL1
SCHEMBL2016421 0.82 IDH1 (0.41) TDP1GRM5
SCHEMBL30423972 0.82 TDP1 (0.68) KDM4ETDP1GRM5TP53L3MBTL1
SCHEMBL1442585 0.82 TDP1 (0.68) KDM4ETDP1GRM5TP53L3MBTL1
SCHEMBL776048 0.81 KDM4E (0.67) KDM4ETDP1GRM5ALDH1A1TP53
SCHEMBL6535291 0.81 TDP1 (0.44) KDM4ETDP1GRM5TP53CCR1
SCHEMBL12824407 0.79 KDM4E (0.71) KDM4ETDP1GRM5ALDH1A1TP53
SCHEMBL4490247 0.78 CCR1 (0.63) KDM4ETDP1GRM5ALDH1A1TP53
SCHEMBL29545764 0.78 CCR1 (0.63) KDM4ETDP1GRM5ALDH1A1TP53
SCHEMBL9489007 0.78 L3MBTL1 (0.65) KDM4ETDP1GRM5ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082884-A2 2-PYRIDIN-2YL-PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF GASTRO-ESOPHAGEA L REFLUX DISEASE ASTRAZENECA AB (SE) 2005-09-09 WO claimed
CN-102482232-A Novel pyrimidine and triazine hepcidin antagonists VIFOR INT AG 2012-05-30 CN disclosed
US-7015228-B2 4-amino-2-(2-pyridyl)pyrimidines as microbicidal active substances CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-03-21 US disclosed
WO-2005082884-A2 2-PYRIDIN-2YL-PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF GASTRO-ESOPHAGEA L REFLUX DISEASE ASTRAZENECA AB (SE) 2005-09-09 WO disclosed
WO-2005082884-A2 2-PYRIDIN-2YL-PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF GASTRO-ESOPHAGEA L REFLUX DISEASE ASTRAZENECA AB (SE) 2005-09-09 WO disclosed
EP-1254903-B1 4-Amino-2-(pyridin-2-yl)pyrimidine as microbicidal active substances CIBA SC HOLDING AG (CH) 2005-06-08 EP disclosed
US-20030092718-A1 4-amino-2-(2-pyridyl)pyrimidines as microbicidal active substances CIBA SPECIALTY CHEMICALS CORP. 2003-05-15 US disclosed
EP-1254903-A1 4-Amino-2-(pyridin-2-yl)pyrimidine as microbicidal active substances Ciba SC Holding AG (CH) 2002-11-06 EP 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-20030092718-A1 4-amino-2-(2-pyridyl)pyrimidines as microbicidal active substances CCR1, CCR2, CCRL2 KDM4E 2832/4885TDP1 1153/4885GRM5 1704/4885

“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.