SCHEMBL12426952

SCHEMBL12426952

O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GPR52 Q9Y2T5 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
PLOD2 O00469 1/20 0.46
PLOD3 O60568 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLOD1 Q02809 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL977997 0.87 HSP90AA1 (0.63) HSP90AA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL19033787 0.87 HSP90AA1 (0.63) HSP90AA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL20677772 0.81 HSP90AA1 (0.58) HSP90AA1ALDH1A1NAPRTMAPK1TSHR
SCHEMBL20570242 0.81 CYP1A1 (0.56) HSP90AA1KMT2AGPR52ALDH1A1HPGD
SCHEMBL20677796 0.80 HSP90AA1 (0.56) HSP90AA1KMT2AMEN1GPR52ALDH1A1
SCHEMBL9539946 0.79 HSP90AA1 (0.54) HSP90AA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL3694184 0.79 HSP90AA1 (0.54) HSP90AA1KMT2AMEN1GPR52ALDH1A1
SCHEMBL11397350 0.79 HSP90AA1 (0.54) HSP90AA1KMT2AMEN1GPR52ALDH1A1
SCHEMBL3923560 0.79 HSP90AA1 (0.54) HSP90AA1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL19243283 0.76 SMN1; SMN2 (0.53) HSP90AA1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010542-B2 PFKFB3 inhibit and methods of use as an anti-cancer therapeutic GB ACT, INC. (US) 2018-07-03 US disclosed
US-10010542-B2 PFKFB3 inhibit and methods of use as an anti-cancer therapeutic GB ACT, INC. (US) 2018-07-03 US disclosed
US-10010542-B2 PFKFB3 inhibit and methods of use as an anti-cancer therapeutic GB ACT, INC. (US) 2018-07-03 US disclosed
US-20170258783-A1 PFKFB3 INHIBIT AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2017-09-14 US disclosed
US-20170258783-A1 PFKFB3 INHIBIT AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2017-09-14 US disclosed
US-20170258783-A1 PFKFB3 INHIBIT AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2017-09-14 US disclosed
US-9649305-B2 PFKFB3 inhibitor and methods of use as an anti-cancer therapeutic ADVANCED CANCER THERAPEUTICS, LLC (US) 2017-05-16 US disclosed
US-9649305-B2 PFKFB3 inhibitor and methods of use as an anti-cancer therapeutic ADVANCED CANCER THERAPEUTICS, LLC (US) 2017-05-16 US disclosed
US-9649305-B2 PFKFB3 inhibitor and methods of use as an anti-cancer therapeutic ADVANCED CANCER THERAPEUTICS, LLC (US) 2017-05-16 US disclosed
EP-2831047-B1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC ADVANCED CANCER THERAPEUTICS LLC (US) 2017-05-03 EP disclosed
EP-2831047-B1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC ADVANCED CANCER THERAPEUTICS LLC (US) 2017-05-03 EP disclosed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-20150064175-A1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2015-03-05 US disclosed
US-20150064175-A1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2015-03-05 US disclosed
US-20150064175-A1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC GB005, INC. 2015-03-05 US disclosed
WO-2013148228-A1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-03 WO disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
WO-2011103557-A1 SMALL MOLECULE INHIBITORS OF PFKFB3 AND GLYCOLYTIC FLUX AND THEIR METHODS OF USE AS ANTI-CANCER THERAPEUTICS ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-08-25 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 (4 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-20170258783-A1 PFKFB3 INHIBIT AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC PFKFB3, PFKFB1, PFKFB2 HSP90AA1 3499/4885KMT2A 1403/4885MEN1 3601/4885
US-10010542-B2 PFKFB3 inhibit and methods of use as an anti-cancer therapeutic PFKFB3, PFKFB1, PFKFB2 HSP90AA1 3499/4885KMT2A 1403/4885MEN1 3601/4885
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics PFKFB3, PFKFB1, PFKFB2 HSP90AA1 3023/4885KMT2A 2275/4885MEN1 2284/4885
US-20150064175-A1 PFKFB3 INHIBITOR AND METHODS OF USE AS AN ANTI-CANCER THERAPEUTIC PFKFB3, PFKFB1, PFKFB2 HSP90AA1 3689/4885KMT2A 1320/4885MEN1 3445/4885

“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.