SCHEMBL20830846

SCHEMBL20830846

COc1cc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)C3[C@H](C)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.64
BRD2 P25440 6/20 0.64
BRD3 Q15059 6/20 0.64
CYP3A4 P08684 6/20 0.64
CYP2C9 P11712 6/20 0.64
CACNA1A O00555 1/20 0.64
CHRNA1 P02708 1/20 0.64
CYP2D6 P10635 1/20 0.64
CCL2 P13500 1/20 0.64
KCNA5 P22460 1/20 0.64
TACR1 P25103 1/20 0.64
MAOB P27338 1/20 0.64
CYP2C19 P33261 1/20 0.64
AVPR1A P37288 1/20 0.64
PDE4B Q07343 1/20 0.64
KCNH2 Q12809 1/20 0.64
SCN5A Q14524 1/20 0.64
BRDT Q58F21 1/20 0.64
CREBBP Q92793 1/20 0.64
KCNH3 Q9ULD8 1/20 0.64

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
SCHEMBL18258232 0.78 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL29366680 0.78 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12098810 0.78 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL29376121 0.78 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1906755 0.78 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1904423 0.78 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29881331 0.77 BRD4 (0.98) BRD4BRD2BRD3CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL30014518 0.77 BRD4 (0.98) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249916 0.76 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16118499 0.75 BRD4 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013698-B2 Combinations of LSD1 inhibitors for the treatment of hematological malignancies ORYZON GENOMICS S.A. (ES) 2021-05-25 US disclosed
US-20190083417-A1 COMBINATIONS OF LSD1 INHIBITORS FOR THE TREATMENT OF HEMATOLOGICAL MALIGNANCIES ORYZON GENOMICS SA (ES) 2019-03-21 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-11013698-B2 Combinations of LSD1 inhibitors for the treatment of hematological malignancies KDM1B, KDM1A, DOT1L BRD4 93/4885BRD2 132/4885BRD3 117/4885
US-20190083417-A1 COMBINATIONS OF LSD1 INHIBITORS FOR THE TREATMENT OF HEMATOLOGICAL MALIGNANCIES KDM1B, KDM1A, DOT1L BRD4 93/4885BRD2 132/4885BRD3 117/4885

“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.