SCHEMBL18957445

SCHEMBL18957445

Cc1cc(Oc2cccnc2C)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TGFBR1 P36897 1/20 0.41

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
SCHEMBL29851254 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL17913259 0.89 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL29851662 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL18957469 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL2535336 0.81 HSD17B10 (0.53) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL20818065 0.80 MEN1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL8869728 0.80 TLR4 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL18972446 0.79 MAPT (0.50) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL13548672 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL13548668 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBSMN1; SMN2

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 16 patents. 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
CN-113121562-B Polycyclic compounds as inhibitors of bruton's tyrosine kinase 詹森药业有限公司 2022-09-13 CN disclosed
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2022-05-03 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
EP-3386991-B1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-06-03 EP disclosed
US-20190276471-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-12 US disclosed
EP-3386991-A1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE Janssen Pharmaceutica NV (BE) 2018-10-17 EP disclosed
WO-2018103060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
US-20170283430-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 US disclosed
WO-2017100662-A1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 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 (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 ALDH1A1 4036/4885MEN1 2524/4885KMT2A 2295/4885
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN ALDH1A1 4036/4885MEN1 2524/4885KMT2A 2295/4885
US-20170283430-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN ALDH1A1 4036/4885MEN1 2524/4885KMT2A 2295/4885
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 ALDH1A1 3938/4885MEN1 2475/4885KMT2A 2194/4885
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN ALDH1A1 4036/4885MEN1 2524/4885KMT2A 2295/4885
US-10717745-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN ALDH1A1 4036/4885MEN1 2524/4885KMT2A 2295/4885
US-20210101910-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 ALDH1A1 3938/4885MEN1 2475/4885KMT2A 2194/4885
US-20190276471-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN ALDH1A1 4036/4885MEN1 2524/4885KMT2A 2295/4885
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 ALDH1A1 3938/4885MEN1 2475/4885KMT2A 2194/4885

“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.