SCHEMBL1936639

SCHEMBL1936639

Nc1cccnc1OC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.53
ALOX5AP P20292 2/20 0.52
FEN1 P39748 2/20 0.52
LRRK2 Q5S007 3/20 0.47
PDE10A Q9Y233 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
SCHEMBL29445482 1.00 GRM4 (0.53) GRM4ALOX5APFEN1LRRK2PDE10A
SCHEMBL2404642 0.91 GRM4 (0.54) GRM4ALOX5APFEN1LRRK2
SCHEMBL2406994 0.91 GRM4 (0.54) GRM4ALOX5APFEN1LRRK2
SCHEMBL2404646 0.91 GRM4 (0.54) GRM4ALOX5APFEN1LRRK2
SCHEMBL31702258 0.88 ALOX5AP (0.43) GRM4ALOX5APFEN1PDE10A
SCHEMBL20687907 0.88 ALOX5AP (0.43) GRM4ALOX5APFEN1PDE10A
SCHEMBL20240553 0.85 ALOX5AP (0.46) GRM4ALOX5APFEN1LRRK2
SCHEMBL4967417 0.85 ALOX5AP (0.46) GRM4ALOX5APFEN1LRRK2
SCHEMBL20689295 0.83 GRM4 (0.42) GRM4ALOX5APFEN1LRRK2
SCHEMBL9574598 0.83 ALOX5AP (0.47) GRM4ALOX5APFEN1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
CN-111848591-B HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2022-03-18 CN disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 US disclosed
CN-111848591-A HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2020-10-30 CN disclosed
WO-2020216298-A1 HDAC INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2020-10-29 WO disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
EP-2331551-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 WO disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 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 (9 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GRM4 3679/4885ALOX5AP 3531/4885FEN1 2653/4885
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 GRM4 3896/4885ALOX5AP 2162/4885FEN1 628/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GRM4 3679/4885ALOX5AP 3531/4885FEN1 2653/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG GRM4 4152/4885ALOX5AP 2911/4885FEN1 3087/4885
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK GRM4 3721/4885ALOX5AP 1795/4885FEN1 461/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GRM4 3679/4885ALOX5AP 3531/4885FEN1 2653/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GRM4 3679/4885ALOX5AP 3531/4885FEN1 2653/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GRM4 3679/4885ALOX5AP 3531/4885FEN1 2653/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GRM4 3679/4885ALOX5AP 3531/4885FEN1 2653/4885

“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.