SCHEMBL3598102

SCHEMBL3598102

CN1Cc2c(N)cccc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.54
CREBBP Q92793 2/20 0.54
CRBN Q96SW2 2/20 0.39
CDK5 Q00535 4/20 0.37
CDK5R1 Q15078 4/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.37
TNF P01375 1/20 0.36
IL1B P01584 1/20 0.36
IKZF1 Q13422 1/20 0.36
DDB1 Q16531 1/20 0.36
IKZF3 Q9UKT9 1/20 0.36
HTR5A P47898 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
RGS12 O14924 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL3598100 0.81 BRD4 (0.56) BRD4CREBBPCRBNCDK5CDK5R1
SCHEMBL4613887 0.81 BRD4 (0.56) BRD4CREBBPCRBNCDK5CDK5R1
SCHEMBL29704455 0.81 BRD4 (0.56) BRD4CREBBPCRBNCDK5CDK5R1
SCHEMBL19657830 0.81 BRD4 (0.56) BRD4CREBBPCRBNCDK5CDK5R1
SCHEMBL20612876 0.79 BRD4 (0.54) BRD4CREBBPCRBNCDK5CDK5R1
SCHEMBL3604262 0.79 ACE (0.44) BRD4CREBBPCRBNCDK5CDK5R1
SCHEMBL13383385 0.78 BRD4 (0.53) BRD4CREBBPCRBNKMT2AMAPK1
SCHEMBL20597216 0.77 CDK5 (0.52) BRD4CREBBPCDK5CDK5R1KMT2A
SCHEMBL30116170 0.77 CDK5 (0.52) BRD4CREBBPCDK5CDK5R1KMT2A
SCHEMBL3594623 0.76 ACE (0.45) BRD4CREBBPCRBNPARP1TNF

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 BRD4 706/4885CREBBP 2015/4885CRBN 762/4885

“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.