SCHEMBL902831

SCHEMBL902831

Cc1nc2c(C(=O)N3CCN(C)CC3)cnn2c(O)c1Cc1ccc(Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.83
KDM4E B2RXH2 9/20 0.83
HPGD P15428 9/20 0.83
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HSD17B10 Q99714 7/20 0.56
TSHR P16473 5/20 0.56
RUVBL1 Q9Y265 4/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 5/20 0.50
MAPT P10636 2/20 0.50
USP2 O75604 2/20 0.50
MAPK1 P28482 1/20 0.50
RUVBL2 Q9Y230 1/20 0.50
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL902537 0.93 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL902549 0.92 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL902315 0.90 KDM4E (0.84) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL902125 0.85 HSD17B10 (0.65) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL902339 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL26003171 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL902657 0.82 TP53 (0.60) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL15274740 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL902719 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL902729 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDCYP1A2CYP3A4

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 ALDH1A1 441/4885KDM4E 4265/4885HPGD 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.