SCHEMBL17963452

SCHEMBL17963452

COC(=O)c1ncc2c(cnn2-c2ccccc2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
MAPT P10636 4/20 0.46
NR3C1 P04150 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 1/20 0.41
CYP1A2 P05177 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PFKFB3 Q16875 1/20 0.41

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
SCHEMBL17963319 0.86 TP53 (0.47) TP53MAPTKMT2AGAAKDM4E
SCHEMBL17982137 0.85 MAPT (0.44) TP53MAPTNR3C1KMT2AKDM4E
SCHEMBL20413597 0.79 NPC1 (0.57) MAPTNR3C1KMT2AKDM4ECYP2C9
SCHEMBL31636894 0.79 KDM4E (0.45) MAPTNR3C1KMT2AGAAKDM4E
SCHEMBL17963178 0.79 NR3C1 (0.63) TP53MAPTNR3C1KMT2AKDM4E
SCHEMBL31636911 0.78 MAPT (0.45) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL20413783 0.76 ALDH1A1 (0.44) MAPTKMT2AGAAKDM4ECYP2C9
SCHEMBL17963401 0.75 NR3C1 (0.56) MAPTNR3C1KMT2AKDM4ECYP2C9
SCHEMBL17963138 0.74 NR3C1 (0.53) MAPTNR3C1KMT2A
SCHEMBL15987380 0.74 CYP11B2 (0.64) MAPTGAAALDH1A1NPSR1HSD17B10

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-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 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 (2 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 TP53 3039/4885MAPT 1843/4885NR3C1 1/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 TP53 3716/4885MAPT 2106/4885NR3C1 1/4885

“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.