SCHEMBL21769255

SCHEMBL21769255

CC(=O)Nc1ncc(OCc2ccccc2)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.57
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PPIA P62937 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
CYP19A1 P11511 2/20 0.46
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGER1 P34995 1/20 0.43
ADORA3 P0DMS8 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
SCHEMBL15469714 0.87 BRD4 (0.57) BRD4CYP11B1CYP11B2PPIAMEN1
SCHEMBL13195041 0.86 BRD4 (0.56) BRD4CYP11B1CYP11B2PPIAMEN1
SCHEMBL20219254 0.82 BRD4 (0.49) BRD4CYP11B1CYP11B2PPIAMEN1
SCHEMBL20386612 0.79 BRD4 (0.51) BRD4CYP11B1CYP11B2PPIAMEN1
SCHEMBL17123643 0.79 CYP1A2 (0.52) BRD4CYP11B1CYP11B2PPIAADORA3
SCHEMBL20386594 0.77 CYP1A2 (0.48) BRD4CYP11B1CYP11B2PPIAMEN1
SCHEMBL2116065 0.75 HTT (0.58) BRD4MEN1KMT2ASMN1; SMN2STAT3
SCHEMBL15469765 0.75 KCNH2 (0.45) BRD4CYP11B1CYP11B2PPIAMEN1
SCHEMBL21920109 0.75 BRD4 (0.44) BRD4CYP11B1CYP11B2PPIAMEN1
Hydrochloric Acid SCHEMBL30756095 0.74 BRD4 (0.54) BRD4CYP11B1CYP11B2PPIAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10780089-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2020-09-22 US disclosed
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2020-02-27 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 (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-10780089-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 BRD4 1243/4885CYP11B1 1605/4885CYP11B2 2014/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 BRD4 1243/4885CYP11B1 1605/4885CYP11B2 2014/4885

“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.