SCHEMBL902616

SCHEMBL902616

COC(=O)c1nc2ccnn2c(O)c1Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 3/20 0.46
HSP90AA1 P07900 1/20 0.42
PLA2G2A P14555 1/20 0.42
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGER4 P35408 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 4/20 0.38
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
ENPP1 P22413 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL902449 0.90 PDE4A (0.48) KCNN3HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL901817 0.89 KCNN3 (0.41) KCNN3HSP90AA1HPGDKDM4EALDH1A1
SCHEMBL902640 0.88 ALDH1A1 (0.52) HSP90AA1PLA2G2AHPGDKDM4EALDH1A1
SCHEMBL902760 0.87 KCNN3 (0.46) KCNN3HPGDKDM4EALDH1A1MAPK1
SCHEMBL902369 0.87 PDE4B (0.40) HSP90AA1PLA2G2AALDH1A1MAPTLMNA
SCHEMBL902478 0.86 TSHR (0.39) KCNN3PLA2G2AHPGDKDM4EALDH1A1
SCHEMBL15274730 0.84 PDE4D (0.46) HPGDKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15274729 0.79 PDE4A (0.50) KCNN3HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL902261 0.78 PDE4A (0.49) HPGDKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15274731 0.78 KCNN3 (0.41) KCNN3HPGDKDM4EALDH1A1L3MBTL1

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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
EP-2621928-A1 7-HYDROXY-PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-07 EP disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 WO disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 KCNN3 4658/4885HSP90AA1 2310/4885PLA2G2A 4100/4885

“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.