SCHEMBL656178

SCHEMBL656178

Nc1ccc(OCC(O)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
APP P05067 1/20 0.51
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
AGTR1 P30556 1/20 0.44
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7934862 0.90 MAPT (0.55) APPTSHRADRB2ADRB1ADRB3
SCHEMBL6228324 0.89 AR (0.61) ARTSHRMAPK1MAPTLMNA
SCHEMBL11566950 0.84 MAPT (0.50) APPTSHRADRB2ADRB1ADRB3
SCHEMBL5010945 0.83 AR (0.56) ARTSHRMAPK1MAPTLMNA
SCHEMBL8811629 0.83 AR (0.56) ARTSHRMAPK1MAPTLMNA
SCHEMBL6049252 0.82 TDP1 (0.55) APPTSHRMAPK1ADRB2ADRB1
SCHEMBL9002377 0.82 AR (0.55) ARAPPTSHRADRB2ADRB1
SCHEMBL20314692 0.82 AR (0.54) ARTSHRMAPK1MAPTLMNA
SCHEMBL11247517 0.82 PTGS1 (0.59) ARTSHRMAPK1ADRB2ADRB1
SCHEMBL43535 0.82 PTGS1 (0.59) ARTSHRMAPK1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
US-5395910-A Photostable polymers AKZO NOBEL N.V. (NL) 1995-03-07 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed
EP-0550105-A2 Liquid-crystalline polyurethanes, compositions of said liquid-crystalline polyurethanes, and a device for optical data storage comprising a liquid-crystalline polyurethane Akzo Nobel N.V. (NL) 1993-07-07 EP disclosed
EP-0178073-B1 AMIDE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-04-27 EP disclosed
US-4670583-A ANTIALLERGENS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1987-06-02 US disclosed
EP-0178073-A1 amide compounds, process for preparing the same and pharmaceutical compositions containing the same TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1986-04-16 EP disclosed
US-4104284-A Nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 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 (10 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK AR 1705/4885APP 917/4885TSHR 1137/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A AR 3991/4885APP 1782/4885TSHR 1524/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK AR 1845/4885APP 850/4885TSHR 1024/4885

“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.