SCHEMBL3664310

SCHEMBL3664310

B(Oc1ccn[nH]1)Oc1ccn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LTA4H P09960 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PDPK1 O15530 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HRH2 P25021 1/20 0.32
NOTUM Q6P988 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL7199146 0.72
SCHEMBL7054133 0.72
SCHEMBL9596266 0.70 LTA4H (0.56) SCN4ANPC1RAB9ALTA4HKDM4E
SCHEMBL2489553 0.69 HCAR2 (0.33) KDM4EHCAR2
SCHEMBL3755005 0.67
SCHEMBL4009276 0.67
SCHEMBL20970329 0.67 SCN4A (0.34) SCN4ANPC1RAB9AKDM4EHCAR2
SCHEMBL1675620 0.65 HCAR2 (0.34) SCN4AHCAR2
SCHEMBL15716188 0.64
SCHEMBL22864022 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014058947-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER USING PI3K INHIBITOR AND ANTI-CD19 MAYTANSINOID IMMUNOCONJUGATE SANOFI (FR) 2014-04-17 WO disclosed
US-20130343988-A1 Pyrido [2, 3-D] pyrimidin-7-one compounds as inhibitors of P13K-Alpha for the treament of cancer EXELIXIS, INC. (US) 2013-12-26 US disclosed
EP-2142544-B1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-05-22 EP disclosed
US-20100209340-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. 2010-08-19 US disclosed
EP-2142544-A1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-13 EP disclosed
WO-2008127712-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 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 (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-20130343988-A1 Pyrido [2, 3-D] pyrimidin-7-one compounds as inhibitors of P13K-Alpha for the treament of cancer CDKN1A, MAP3K3, CCNK SCN4A 3330/4885NPC1 3062/4885RAB9A 2095/4885
US-20100209340-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER CDKN1A, CCNK, MAP3K3 SCN4A 3399/4885NPC1 3372/4885RAB9A 2043/4885

“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.