SCHEMBL19641114

SCHEMBL19641114

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.45
NSD2 O96028 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
PDE4D Q08499 2/20 0.40
KMO O15229 1/20 0.39
GRM4 Q14833 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL27456578 0.78 CYP1A2 (0.68) L3MBTL1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL19641070 0.75 SRD5A2 (0.44) CYP1A2TSHRALDH1A1NPC1ALOX15
SCHEMBL3254162 0.74 MAPT (0.41) APAF1NSD2CASP3SENP8SENP7
SCHEMBL19995905 0.73 KCNQ3 (0.46) L3MBTL1ALDH1A1ALOX15SMN1; SMN2POLB
SCHEMBL27778060 0.73 SIRT6 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL14015128 0.72 HPGD (0.50) L3MBTL1MAOAALDH1A1NPC1RAB9A
SCHEMBL28933163 0.71 ALDH1A1 (0.73) L3MBTL1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL15906544 0.71 CYP1A2 (0.62) L3MBTL1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3856127 0.70 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL411025 0.70 CA12 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9TSHR

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 APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885
US-11466017-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885
US-10851110-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885
US-10280171-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP APAF1 1963/4885NSD2 2672/4885CASP3 3451/4885

“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.