SCHEMBL19641019

SCHEMBL19641019

COc1cc(C(O)c2ncc(Cl)nc2Cl)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK1 P28482 2/20 0.36
DYRK1A Q13627 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NFKB1 P19838 1/20 0.34
CNR2 P34972 1/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL19641084 0.75 MEN1 (0.37) KMT2AMEN1MAPK1LMNAGAA
SCHEMBL3257150 0.74 ACHE (0.38) ACHEKMT2AMEN1LMNAGAA
SCHEMBL23886079 0.74 ALDH1A1 (0.37) KMT2AMEN1PDGFRBPDGFRAGAA
SCHEMBL30020528 0.74 ALDH1A1 (0.37) KMT2AMEN1PDGFRBPDGFRAGAA
SCHEMBL14015130 0.72 LMNA (0.46) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL30946913 0.70 AKR1C3 (0.47) KMT2AMAPK1SMN1; SMN2NFKB1CNR2
SCHEMBL17541612 0.70 AKR1C3 (0.47) KMT2AMAPK1SMN1; SMN2NFKB1CNR2
SCHEMBL26988357 0.70 CNR2 (0.46) ACHEKMT2AMEN1MAPK1GAA
SCHEMBL7161306 0.69 ACHE (0.38) ACHEKMT2AMEN1MAPK1DYRK1A
SCHEMBL19641114 0.68 APAF1 (0.45) SMN1; SMN2GAAKMOGRM4HDAC6

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
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-04-13 US disclosed
US-11466017-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-11 US disclosed
EP-3463343-B1 HETEROCYCLIC INHIBITORS OF PTPN11 UNIV TEXAS (US) 2022-03-23 EP disclosed
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-01-21 US disclosed
US-10851110-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-12-01 US disclosed
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-09-05 US disclosed
US-10280171-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-07 US disclosed
EP-3463343-A1 HETEROCYCLIC INHIBITORS OF PTPN11 Board of Regents, University of Texas System (US) 2019-04-10 EP disclosed
WO-2017210134-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 WO disclosed
US-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-11-30 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 (8 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-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885
US-11466017-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885
US-10851110-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885
US-10280171-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP ACHE 4831/4885KMT2A 2310/4885MEN1 4150/4885

“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.