SCHEMBL4123040

SCHEMBL4123040

CN1Cc2ccc(Br)cc2NC1=O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.76
CREBBP Q92793 2/20 0.59
CMA1 P23946 1/20 0.54
AHR P35869 1/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
AKR1B1 P15121 1/20 0.42
BRD2 P25440 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
TDP2 O95551 1/20 0.40
CRBN Q96SW2 1/20 0.39

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
SCHEMBL1771061 0.86 BRD4 (1.00) BRD4CREBBPMEN1KMT2ABRD2
SCHEMBL13090753 0.81 BRD4 (0.61) BRD4CREBBPAKR1B1BRD2TRPV1
SCHEMBL25249364 0.80 CMA1 (0.60) BRD4CREBBPCMA1AHRMEN1
SCHEMBL3604431 0.79 BRD4 (0.59) BRD4CREBBPBRD2TRPV1CRBN
SCHEMBL27554931 0.79 BRD4 (0.59) BRD4CREBBPCDK5CDK5R1TRPV1
SCHEMBL3599751 0.79 BRD4 (0.59) BRD4CREBBPMEN1KMT2ABRD2
SCHEMBL4117443 0.79 CMA1 (0.50) BRD4CREBBPCMA1AHRMEN1
SCHEMBL13545265 0.77 BRD4 (0.56) BRD4CREBBPTRPV1
SCHEMBL31490089 0.76 BRD4 (0.54) BRD4CREBBPTRPV1TDP2
SCHEMBL4123663 0.76 BRD4 (0.54) BRD4CREBBPTRPV1

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
WO-2020139992-A1 AZA-HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER AGIOS PHARMACEUTICALS, INC. (US) 2020-07-02 WO disclosed
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 US disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 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-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB1, TUBA1C BRD4 164/4885CREBBP 2730/4885CMA1 2845/4885

“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.