SCHEMBL1277439

SCHEMBL1277439

O=[N+]([O-])c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.74
HTT P42858 2/20 0.74
ALDH1A1 P00352 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 4/20 0.64
RAB9A P51151 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HSPB1 P04792 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CYP19A1 P11511 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL2910448 0.87 ALDH1A1 (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL177519 0.84 LMNA (0.80) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL30098501 0.84 LMNA (0.80) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL13815838 0.83 LMNA (0.56) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL16114401 0.82 LMNA (0.75) LMNAHTTALDH1A1SMN1; SMN2RAB9A
SCHEMBL12736161 0.81 MAPT (0.72) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL9449031 0.81 LMNA (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT
Nitric Acid SCHEMBL9386468 0.81 LMNA (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL31133173 0.81 LMNA (0.61) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL3997433 0.80 HSPB1 (0.63) LMNAHTTALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2024-11-21 US disclosed
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2024-08-20 US disclosed
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 US disclosed
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2022-05-03 US disclosed
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-12-30 US disclosed
CN-113121562-A Polycyclic compounds as inhibitors of bruton's tyrosine kinase 詹森药业有限公司 2021-07-16 CN disclosed
US-20210101910-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2021-04-08 US disclosed
US-10934310-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2021-03-02 US disclosed
EP-3719022-A1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE Janssen Pharmaceutica NV (BE) 2020-10-07 EP disclosed
US-10717745-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2020-07-21 US disclosed
CN-101010315-A Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2007-08-01 CN disclosed
CN-1993349-A Quinazoline derivatives as ERBB receptor tyrosine kinases ASTRAZENECA AB (SE) 2007-07-04 CN disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
EP-1751139-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO disclosed
WO-2005110994-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO disclosed
US-4237300-A CHEMICAL INTERMEDIATES FOR IMIDAZO(1,2-A)PYRIDINE ANTHELMINTIC AGENTS AS WELL AS BEING A FUNGICIDE MERCK & CO., INC. (US) 1980-12-02 US disclosed
US-4177274-A ANTHELMINTICS MERCK & CO., INC. (US) 1979-12-04 US disclosed
US-4096264-A ANTHELMINTICS MERCK & CO., INC. (US) 1978-06-20 US 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-10934310-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN LMNA 1242/4885HTT 4438/4885ALDH1A1 4036/4885
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN LMNA 1242/4885HTT 4438/4885ALDH1A1 4036/4885
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF LMNA 2964/4885HTT 3742/4885ALDH1A1 1318/4885
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 LMNA 1078/4885HTT 4362/4885ALDH1A1 3938/4885
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN LMNA 1242/4885HTT 4438/4885ALDH1A1 4036/4885
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, SCN1B LMNA 4384/4885HTT 2045/4885ALDH1A1 288/4885
US-10717745-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN LMNA 1242/4885HTT 4438/4885ALDH1A1 4036/4885
US-20210101910-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 LMNA 1078/4885HTT 4362/4885ALDH1A1 3938/4885
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 LMNA 1078/4885HTT 4362/4885ALDH1A1 3938/4885

“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.