SCHEMBL16340770

SCHEMBL16340770

CN(C/C=C/C(=O)Cl)[C@@H]1CCOC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HDAC1 Q13547 1/20 0.32
POLB P06746 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL16340771 1.00 PIK3CD (0.33) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15156188 1.00 PIK3CD (0.33) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15156191 1.00 PIK3CD (0.33) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15156187 1.00 PIK3CD (0.33) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15156189 1.00 PIK3CD (0.33) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15156369 0.86 HTR2A (0.38) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15709095 0.86 HTR2A (0.38) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15171100 0.86 HTR2A (0.38) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15156366 0.86 HTR2A (0.38) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL15156084 0.86 HTR2A (0.38) PIK3CDNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 EP disclosed
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 EP disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 US disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 US disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 US disclosed
US-9469642-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-10-18 US disclosed
US-9469642-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-10-18 US disclosed
US-9469642-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-10-18 US disclosed
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2014-12-25 US disclosed
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2014-12-25 US disclosed
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2014-12-25 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 (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-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 PIK3CD 67/4885NPC1 4699/4885RAB9A 1287/4885
US-20140378446-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 PIK3CD 67/4885NPC1 4699/4885RAB9A 1287/4885

“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.