SCHEMBL1314645

SCHEMBL1314645

O=Cc1cnc(-c2ccc(F)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.43
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC3 O15379 4/20 0.39
▸ HDAC4 P56524 4/20 0.39
▸ HDAC7 Q8WUI4 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC10 Q969S8 4/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC9 Q9UKV0 4/20 0.39
▸ HDAC5 Q9UQL6 4/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 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
SCHEMBL13285397 0.84 PTPN11 (0.41) PTPN11HDAC1HDAC3HDAC4HDAC7
SCHEMBL29065959 0.82 XDH (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16032766 0.82 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL850770 0.82 SMN1; SMN2 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8331917 0.82 ALDH1A1 (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL9394 0.81 ALDH1A1 (0.50) HDAC1HDAC6ALDH1A1KDM4EMAPT
SCHEMBL8336785 0.81 KMO (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12151093 0.81 NPC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29183399 0.81 ALDH1A1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1314678 0.80 KDM4E (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
US-9555038-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-31 — — US disclosed
US-9555038-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-31 — — US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 — — US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 — — US disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 — — WO disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 — — US disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 — — WO disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 — — US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 — — US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 — — US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 — — US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 — — US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 — — EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 — — 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 (5 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-20130085148-A1 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 PTPN11 1468/4885HDAC1 1726/4885HDAC3 3359/4885
US-20170073339-A1 PYRIDINE DERIVATIVES CYP21A2, CYP26A1, CYP11B1 PTPN11 1195/4885HDAC1 1188/4885HDAC3 2600/4885
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 PTPN11 825/4885HDAC1 242/4885HDAC3 449/4885
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 PTPN11 1561/4885HDAC1 383/4885HDAC3 1504/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 PTPN11 825/4885HDAC1 242/4885HDAC3 449/4885

“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.

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