SCHEMBL1707180

SCHEMBL1707180

COc1ccc(OCCCN2CCCCC2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.58
KCNH2 Q12809 2/20 0.58
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
EHMT2 Q96KQ7 1/20 0.54
EHMT1 Q9H9B1 1/20 0.54
ACHE P22303 1/20 0.52
RAD52 P43351 1/20 0.52

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
SCHEMBL1911982 0.93 LTA4H (0.55) HRH3POLBKDM4E
SCHEMBL10207620 0.92 LTA4H (0.56) POLBMAPTKDM4EALDH1A1KMT2A
SCHEMBL1706927 0.89 HRH3 (0.58) HRH3KCNH2POLBMAPTKDM4E
SCHEMBL21814294 0.88 HRH3 (0.56) HRH3KCNH2POLBMAPTKDM4E
SCHEMBL1622564 0.84 HRH3 (0.64) HRH3KCNH2KDM4EL3MBTL1ACHE
SCHEMBL2890075 0.83 HRH3 (0.61) HRH3KCNH2KDM4EL3MBTL1KMT2A
SCHEMBL1962645 0.82 LTA4H (0.58) HRH3KCNH2POLBKDM4E
SCHEMBL14419428 0.82 KDM4E (0.59) HRH3KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL1776035 0.81 HRH3 (0.62) HRH3KCNH2POLBMAPTKDM4E
SCHEMBL1964263 0.81 LTA4H (0.59) HRH3POLBKDM4EALDH1A1

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-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 EP disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 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-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 HRH3 310/4885KCNH2 1942/4885POLB 741/4885

“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.