SCHEMBL15280674

SCHEMBL15280674

Cn1ccc(=N)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CRBN Q96SW2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
INMT O95050 4/20 0.38
KDM6A O15550 1/20 0.34
KDM4A O75164 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM5C P41229 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
DOHH Q9BU89 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
TAF1 P21675 1/20 0.31
BRPF1 P55201 1/20 0.31
CREBBP Q92793 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
BRD9 Q9H8M2 1/20 0.31

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
SCHEMBL100263 0.75 CRBN (0.44) KDM4ECRBNKDM6AKDM4ACYP2C9
SCHEMBL25100650 0.74 ALDH1A1 (0.33)
Water SCHEMBL6505685 0.73 CRBN (0.43) KDM4ECRBNKDM6AKDM4ACYP2C9
Hydrochloric Acid SCHEMBL7524493 0.73 CRBN (0.43) KDM4ECRBNKDM6AKDM4ACYP2C9
SCHEMBL10569882 0.71 CRBN (0.41) KDM4ECRBNKDM6AKDM4ACYP2C9
SCHEMBL11238862 0.67 CRBN (0.38) KDM4ECRBNKDM6AKDM4ACYP2C9
SCHEMBL2211531 0.67 CRBN (0.38) KDM4ECRBNKDM6AKDM4ACYP2C9
SCHEMBL7133435 0.64 GSK3A (0.48) KDM4ECRBNCYP2C9CYP2C19
SCHEMBL17664675 0.62 RGS4 (0.47) KDM4E
SCHEMBL23222667 0.62 CRBN (0.37) KDM4ECRBNKDM6AKDM4ACYP2C9

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-8946415-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8946415-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-26 US disclosed
US-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-26 US 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-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 KDM4E 2400/4885CRBN 1635/4885APOBEC3A 2681/4885

“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.