SCHEMBL901795

SCHEMBL901795

Cc1nc2ccnn2c(O)c1Cc1ccc(F)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.39
PDE2A O00408 1/20 0.37
PDE4A P27815 8/20 0.37
PDE4B Q07343 8/20 0.37
PDE4C Q08493 8/20 0.37
PDE4D Q08499 8/20 0.37
GPR52 Q9Y2T5 1/20 0.34
AR P10275 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1H O95180 3/20 0.33
EGLN2 Q96KS0 2/20 0.33
ENPP1 P22413 1/20 0.32

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
SCHEMBL902316 0.78 ENPP2 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL15274700 0.77 HSD17B10 (0.45) MBOAT4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15274725 0.77 HTT (0.37) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL901877 0.75 MBOAT4 (0.50) MBOAT4ALDH1A1
SCHEMBL902541 0.74 CCR2 (0.37) MBOAT4PDE2AKDM4EALDH1A1HPGD
SCHEMBL15274719 0.72 CRHR1 (0.34) PDE2A
SCHEMBL902137 0.72 GCGR (0.35) CACNA1H
SCHEMBL902221 0.72 ENPP1 (0.51) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL902228 0.71 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL902696 0.70 MAPKAPK2 (0.40) PDE4APDE4BPDE4CPDE4D

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 5 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

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 MBOAT4 4612/4885PDE2A 2387/4885PDE4A 1751/4885

“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.