SCHEMBL903864

SCHEMBL903864

COC(=O)C(Cc1cccc(F)c1F)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
PIN1 Q13526 2/20 0.38
RIPK1 Q13546 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
PDE10A Q9Y233 1/20 0.35
BMP1 P13497 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL23721690 0.92 KMT2A (0.42) KMT2APIN1RIPK1CYP3A4CYP2C19
SCHEMBL3804273 0.88 KMT2A (0.47) KMT2ARIPK1CYP3A4CYP2C19ALDH1A1
SCHEMBL1891891 0.87 KMT2A (0.42) KMT2ARIPK1DPP4ALDH1A1KDM4E
SCHEMBL28019798 0.82 KMT2A (0.41) KMT2APIN1RIPK1CYP3A4CYP2C19
SCHEMBL28019797 0.82 KMT2A (0.41) KMT2APIN1RIPK1CYP3A4CYP2C19
SCHEMBL26613727 0.81 ALDH1A1 (0.46) KMT2ACYP2C19ALDH1A1MEN1GAA
SCHEMBL11900963 0.80 KMT2A (0.50) KMT2ARIPK1CYP3A4CYP2C19ALDH1A1
SCHEMBL23203481 0.79 ALDH1A1 (0.43) KMT2ARIPK1DPP4ALDH1A1KDM4E
SCHEMBL15258727 0.77 KMT2A (0.52) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL28798054 0.77 KMT2A (0.51) KMT2ACYP3A4CYP2C19ALDH1A1KDM4E

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 4 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
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 KMT2A 3899/4885PIN1 1724/4885RIPK1 1842/4885

“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.