SCHEMBL8869728

SCHEMBL8869728

Cc1cc(Oc2ccccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
PIN1 Q13526 1/20 0.49
DRD1 P21728 2/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9213459 0.89 TLR4 (0.51) TLR4TLR2PIN1DRD1ALDH1A1
SCHEMBL10845927 0.87 TLR4 (0.54) TLR4TLR2PIN1ALDH1A1LMNA
SCHEMBL29851662 0.84 ALDH1A1 (0.51) TLR4TLR2ALDH1A1LMNAMAPT
SCHEMBL18957469 0.84 ALDH1A1 (0.51) TLR4TLR2ALDH1A1LMNAMAPT
SCHEMBL11009817 0.83 ALDH1A1 (0.54) TLR4TLR2PIN1ALDH1A1LMNA
SCHEMBL28972085 0.81 PIN1 (0.55) TLR4TLR2PIN1ALDH1A1LMNA
SCHEMBL11730102 0.81 TLR4 (0.51) TLR4TLR2PIN1ALDH1A1LMNA
SCHEMBL26686690 0.81 TLR4 (0.51) TLR4TLR2PIN1ALDH1A1LMNA
SCHEMBL1285413 0.80 MAPT (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL18957445 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2018103060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
EP-3080099-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
CN-105793252-A Inhibitors of bruton's tyrosine kinase 豪夫迈·罗氏有限公司 2016-07-20 CN disclosed
WO-2015086642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
US-5637593-A MIGRAINE; HYPOTENSIVE AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-06-10 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 (1 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-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TLR4 818/4885TLR2 1121/4885PIN1 3599/4885

“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.