SCHEMBL17504880

SCHEMBL17504880

COc1cc(-c2ccccc2C=O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
DYRK1A Q13627 1/20 0.43
ACVR2A P27037 4/20 0.42
TGFBR2 P37173 3/20 0.42
CYP19A1 P11511 1/20 0.41
ERN1 O75460 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TGFBR1 P36897 2/20 0.40
GRM5 P41594 1/20 0.39
PDE10A Q9Y233 2/20 0.39
CNR1 P21554 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
XDH P47989 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
SCHEMBL19153690 0.81 ERN1 (0.44) IDO1DYRK1AACVR2ATGFBR2CYP19A1
SCHEMBL744054 0.79 IDO1 (0.50) IDO1DYRK1AACVR2ATGFBR2CYP19A1
SCHEMBL17376184 0.78 ACVR2A (0.49) IDO1DYRK1AACVR2ATGFBR2TGFBR1
SCHEMBL19127090 0.77 ERN1 (0.57) ERN1XDH
SCHEMBL22283951 0.76 IDO1 (0.48) IDO1DYRK1AACVR2ATGFBR2CYP19A1
SCHEMBL30042559 0.76 IDO1 (0.48) IDO1DYRK1AACVR2ATGFBR2CYP19A1
SCHEMBL17503147 0.76 ERN1 (0.51) DYRK1AERN1PDE3BPDE3ACNR1
SCHEMBL1264943 0.75 DYRK1A (0.45) IDO1DYRK1AACVR2ATGFBR2CYP19A1
SCHEMBL30626327 0.74 LOX (0.55) IDO1DYRK1AACVR2ATGFBR2CYP19A1
SCHEMBL16116782 0.74 LOX (0.55) IDO1DYRK1AACVR2ATGFBR2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
EP-3177614-A1 [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 EP disclosed
WO-2016019863-A1 [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 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 (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-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 IDO1 2059/4885DYRK1A 1276/4885ACVR2A 2316/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 IDO1 2059/4885DYRK1A 1276/4885ACVR2A 2316/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 IDO1 2162/4885DYRK1A 1249/4885ACVR2A 2398/4885

“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.