SCHEMBL20942201

SCHEMBL20942201

COc1cc2c(cc1-c1c(C)noc1C)ncc1c2n([C@H](C)c2ccccn2)c(=O)n1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.84
BRD2 P25440 2/20 0.72
BRD3 Q15059 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C9 P11712 2/20 0.72
CACNA1A O00555 1/20 0.72
CHRNA1 P02708 1/20 0.72
CYP2D6 P10635 1/20 0.72
CCL2 P13500 1/20 0.72
KCNA5 P22460 1/20 0.72
TACR1 P25103 1/20 0.72
MAOB P27338 1/20 0.72
CYP2C19 P33261 1/20 0.72
AVPR1A P37288 1/20 0.72
PDE4B Q07343 1/20 0.72
KCNH2 Q12809 1/20 0.72
SCN5A Q14524 1/20 0.72
BRDT Q58F21 1/20 0.72
CREBBP Q92793 1/20 0.72
KCNH3 Q9ULD8 1/20 0.72

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
SCHEMBL15985143 0.91 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL14756742 0.91 BRD4 (0.84) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL22053933 0.90 BRD4 (0.83) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL22053929 0.90 BRD4 (0.83) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL28723583 0.87 BRD4 (0.76) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1906250 0.87 BRD4 (0.81) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18908638 0.86 BRD4 (0.74) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18908655 0.85 BRD4 (0.73) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL29516834 0.85 BRD4 (0.73) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18908663 0.85 BRD4 (0.73) BRD4BRD2BRD3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10702518-B2 TAF1 inhibitors for the therapy of cancer CeMM—FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GmbH (AT) 2020-07-07 US disclosed
US-20190262355-A1 COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER CEMM-FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2019-08-29 US disclosed
US-20190117641-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2019-04-25 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 (3 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-20190117641-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER TAF1, TAF1L, TAF5 BRD4 27/4885BRD2 35/4885BRD3 28/4885
US-10702518-B2 TAF1 inhibitors for the therapy of cancer TAF1, TAF1L, TAF5 BRD4 27/4885BRD2 35/4885BRD3 28/4885
US-20190262355-A1 COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER BRD4, MTHFD1, BICRA BRD4 1/4885BRD2 12/4885BRD3 10/4885

“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.