SCHEMBL3230830

SCHEMBL3230830

Nc1cccc(NCCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR7 P34969 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TOP2A P11388 1/20 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
Hydrochloric Acid SCHEMBL2387381 0.99 MEN1 (0.51) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL5903459 0.92 NPC1 (0.53) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4199194 0.86 HTR7 (0.48) MEN1KMT2AL3MBTL1HTR7SIGMAR1
SCHEMBL4189060 0.84 HTR7 (0.49) L3MBTL1HTR7LMNASIGMAR1
SCHEMBL19623614 0.82 MEN1 (0.52) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL13164567 0.82 RECQL (0.67) MEN1KMT2AKDM4ELMNARECQL
SCHEMBL2459191 0.82 MEN1 (0.52) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL25522780 0.82 MEN1 (0.52) MEN1KMT2AKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL2460354 0.82 NCF1 (0.57) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL3222264 0.81 CD274 (0.55) MEN1KMT2AKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
US-7135047-B2 M-phenylenediamine derivatives as coupler components for the coloring of keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-11-14 US claimed
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US claimed
EP-1575538-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
WO-2004058201-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
US-7135047-B2 M-phenylenediamine derivatives as coupler components for the coloring of keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-11-14 US disclosed
US-7135047-B2 M-phenylenediamine derivatives as coupler components for the coloring of keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-11-14 US disclosed
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US disclosed
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US disclosed
EP-1575538-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP disclosed
WO-2004058201-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 MEN1 2881/4885KMT2A 2799/4885KDM4E 2852/4885
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres KRT18, VIM, TPM4 MEN1 1295/4885KMT2A 623/4885KDM4E 591/4885

“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.