SCHEMBL901830

SCHEMBL901830

Cc1nc2c(C(=O)NCCCN3CCOCC3)cnn2c(O)c1Cc1ccc(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.51
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
TP53 P04637 5/20 0.46
P2RX7 Q99572 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.44
NTRK1 P04629 2/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL17616102 0.91 ALDH1A1 (0.54) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL22957835 0.89 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL902349 0.83 HPGD (0.59) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL902112 0.83 LMNA (0.57) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL902251 0.81 TP53 (0.66) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15573905 0.80 HPGD (0.68) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL21159868 0.80 ALDH1A1 (0.66) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL902282 0.77 HPGD (0.59) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL901831 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL901660 0.75 TP53 (0.64) KDM4EALDH1A1HPGDKMT2AMEN1

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 claimed
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 claimed
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 claimed
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 KDM4E 4265/4885ALDH1A1 441/4885HPGD 670/4885

“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.