SCHEMBL542463

SCHEMBL542463

Cc1cn2c(Br)cccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 4/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.35
AHR P35869 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL7947747 0.79 GAA (0.50) NPC1RAB9AMAPTKDM4EGAA
SCHEMBL15004560 0.77 GAA (0.39) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL15004601 0.76 RAB9A (0.38) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL8373773 0.76 ALDH1A1 (0.40) NPC1RAB9AKDM4ENPSR1GAA
SCHEMBL3448499 0.76 PDE10A (0.41) NPC1RAB9AMAPTKDM4EGAA
SCHEMBL7845934 0.76 NPSR1 (0.36) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL8811947 0.76 KMT2A (0.39) NPC1RAB9AKDM4ENPSR1GAA
SCHEMBL17987555 0.76 PIK3CG (0.44) NPC1RAB9AMAPTKDM4EGAA
SCHEMBL29611270 0.76 GAA (0.33) NPC1RAB9AMAPTKDM4EGAA
Bromide SCHEMBL7844571 0.74 PDE10A (0.40) NPC1RAB9AMAPTKDM4EGAA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. 2022-10-06 US disclosed
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-03-23 US disclosed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP disclosed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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 (6 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-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 NPC1 807/4885RAB9A 979/4885MAPT 2314/4885
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 NPC1 807/4885RAB9A 979/4885MAPT 2314/4885
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH NPC1 1140/4885RAB9A 3544/4885MAPT 3983/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD NPC1 2309/4885RAB9A 4182/4885MAPT 4166/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 NPC1 807/4885RAB9A 979/4885MAPT 2314/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 NPC1 807/4885RAB9A 979/4885MAPT 2314/4885

“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.