SCHEMBL21139000

SCHEMBL21139000

COc1ccc2c(c1)C(c1ccc(C)cc1)=N[C@@H](CC(=O)NCCCCCN)c1nnc(C)n1-2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.69
▸ HDAC1 Q13547 2/20 0.69
▸ HDAC2 Q92769 2/20 0.69
▸ BRD2 P25440 2/20 0.69
▸ SMCHD1 A6NHR9 1/20 0.69
▸ MYO1G B0I1T2 1/20 0.69
▸ AIP O00170 1/20 0.69
▸ AP3B1 O00203 1/20 0.69
▸ PSMD11 O00231 1/20 0.69
▸ CDC7 O00311 1/20 0.69
▸ SAP18 O00422 1/20 0.69
▸ KPNA3 O00505 1/20 0.69
▸ PPP6C O00743 1/20 0.69
▸ TCERG1 O14776 1/20 0.69
▸ UBE2L6 O14933 1/20 0.69
▸ PPP1R12A O14974 1/20 0.69
▸ U2SURP O15042 1/20 0.69
▸ SETD1A O15047 1/20 0.69
▸ ARPC1B O15143 1/20 0.69
▸ POLR1C O15160 1/20 0.69

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
SCHEMBL1817329 0.94 BRD4 (0.79) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL16948393 0.94 BRD4 (0.79) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL11984944 0.94 BRD4 (0.67) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14757043 0.93 BRD4 (0.80) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14757289 0.91 BRD4 (0.81) BRD4HDAC1HDAC2BRD2SMCHD1
Trifluoroacetic Acid SCHEMBL1819076 0.90 BRD4 (0.72) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14756215 0.88 BRD4 (0.87) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL18232080 0.88 BRD4 (0.87) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL25271529 0.88 BRD4 (0.81) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14756138 0.87 BRD4 (0.83) BRD4HDAC1HDAC2BRD2SMCHD1

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-10844015-B2 Pyridine dicarboxamide derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-11-24 — — US disclosed
US-20190202786-A1 PYRIDINE DICARBOXAMIDE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-07-04 — — 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-20190202786-A1 PYRIDINE DICARBOXAMIDE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRPF3 BRD4 1/4885HDAC1 13/4885HDAC2 18/4885
US-10844015-B2 Pyridine dicarboxamide derivatives as bromodomain inhibitors BRD4, BRD3, BRPF3 BRD4 1/4885HDAC1 13/4885HDAC2 18/4885

“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.

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