SCHEMBL762003

SCHEMBL762003

Cn1c(=O)ccc2ccc(C(C)(C)C)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 9/20 0.53
BRD4 O60885 3/20 0.53
BRD9 Q9H8M2 3/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
KAT2B Q92831 1/20 0.53
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL762351 0.87 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9
SCHEMBL31743109 0.84 BRPF1 (0.52) BRPF1BRD4BRD9CA12CA9
SCHEMBL16418629 0.76 KCNH2 (0.41) ALDH1A1NPC1RAB9ATSHRKCNH2
SCHEMBL20618778 0.76 KCNH2 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1119899 0.75 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9
SCHEMBL30873729 0.74 BRPF1 (0.49) BRPF1BRD4BRD9CA12CA9
SCHEMBL29213975 0.74 BRPF1 (0.49) BRPF1BRD4BRD9CA12CA9
SCHEMBL8279315 0.73 ALDH1A1 (0.57) BRPF1BRD4ALDH1A1TSHRPGR
SCHEMBL16932310 0.73 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL1948671 0.73 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-08-10 US disclosed
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-08-10 US disclosed
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-20 US disclosed
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-20 US disclosed
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 US disclosed
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 US disclosed
US-11673872-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 US disclosed
US-11673872-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 US disclosed
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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 (11 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 BRPF1 4389/4885BRD4 3725/4885BRD9 3419/4885
US-11673872-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BRPF1 3612/4885BRD4 2291/4885BRD9 3201/4885
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 BRPF1 3612/4885BRD4 2291/4885BRD9 3201/4885
US-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 BRPF1 4654/4885BRD4 4204/4885BRD9 3627/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 BRPF1 4389/4885BRD4 3725/4885BRD9 3419/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 BRPF1 4654/4885BRD4 4204/4885BRD9 3627/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 BRPF1 4654/4885BRD4 4204/4885BRD9 3627/4885
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BRPF1 3553/4885BRD4 2305/4885BRD9 3187/4885
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BRPF1 3553/4885BRD4 2305/4885BRD9 3187/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 BRPF1 4654/4885BRD4 4204/4885BRD9 3627/4885
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BRPF1 3612/4885BRD4 2291/4885BRD9 3201/4885

“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.