SCHEMBL16335161

SCHEMBL16335161

O=C(O)NC1(c2cc(Br)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.45
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC2 Q92769 4/20 0.45
▸ HDAC6 Q9UBN7 4/20 0.45
▸ NOTUM Q6P988 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ PDE2A O00408 5/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ S1PR2 O95136 1/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ TMPRSS4 Q9NRS4 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34

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
SCHEMBL16380741 0.81 NOTUM (0.44) HDAC3HDAC1HDAC2HDAC6NOTUM
SCHEMBL26685531 0.78 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6TACR1
SCHEMBL27075244 0.76 PDE2A (0.54) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL20570812 0.75 AKR1C1 (0.46) HDAC3HDAC1HDAC2HDAC6NOTUM
SCHEMBL19282949 0.73 PDE2A (0.51) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL12513369 0.73 MAPT (0.53) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL22497923 0.73 NOTUM (0.40) HDAC3HDAC1HDAC2HDAC6NOTUM
SCHEMBL23653998 0.72 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6TAS2R14
SCHEMBL25310148 0.72 SCN9A (0.53) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL2030447 0.72 NPSR1 (0.44) HDAC3HDAC1HDAC2HDAC6

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
EP-3013797-B1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE LTD (KY) 2018-01-03 — — EP disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 — — US disclosed
US-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (KY) 2016-06-09 — — US disclosed
EP-3013797-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BeiGene, Ltd. (KY) 2016-05-04 — — EP disclosed
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 — — WO 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-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BRAF, EGFR, ERBB2 HDAC3 259/4885HDAC1 375/4885HDAC2 668/4885

“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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