SCHEMBL1977970

SCHEMBL1977970

Cn1c(N)nc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.56
NUDT1 P36639 1/20 0.56
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.47
PRMT5 O14744 1/20 0.46
HCRTR1 O43613 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NR4A2 P43354 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL30621926 0.85 ADORA3 (0.47) BACE1NUDT1KDM4EALDH1A1CYP1A2
SCHEMBL12598297 0.85 ADORA3 (0.47) BACE1NUDT1KDM4EALDH1A1CYP1A2
SCHEMBL2734327 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2APRMT5
SCHEMBL11823 0.79 TLR8 (0.58) BACE1KDM4EALDH1A1HPGDKMT2A
SCHEMBL2946987 0.79 NOS2 (0.55) BACE1NUDT1CYP1A2KMT2AMAPT
SCHEMBL435075 0.79 NPC1 (0.61) KDM4EALDH1A1CYP1A2HPGDKMT2A
Hydrochloric Acid SCHEMBL6623126 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDKMT2APRMT5
SCHEMBL24463198 0.78 CLK4 (0.41) BACE1NUDT1KDM4EALDH1A1HPGD
SCHEMBL3962704 0.78 KDM4E (0.48) BACE1NUDT1KDM4EALDH1A1CYP1A2
SCHEMBL6185325 0.78 KDM4E (0.42) BACE1NUDT1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 EP disclosed
US-20230391756-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2023-12-07 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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-20230391756-A1 NEW COMPOUND NLRP3, NLRP1, IL1R1 BACE1 118/4885NUDT1 2213/4885KDM4E 4394/4885
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 BACE1 4231/4885NUDT1 3541/4885KDM4E 2778/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS BACE1 1741/4885NUDT1 4677/4885KDM4E 3625/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS BACE1 1741/4885NUDT1 4677/4885KDM4E 3625/4885

“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.