SCHEMBL357217

SCHEMBL357217

C=Cc1ccc(OC)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.62
TUBB1 Q9H4B7 6/20 0.59
TUBB4A P04350 5/20 0.59
TUBB P07437 5/20 0.59
TUBA3C P0DPH7 5/20 0.59
TUBA1B P68363 5/20 0.59
TUBA4A P68366 5/20 0.59
TUBB4B P68371 5/20 0.59
TUBB3 Q13509 5/20 0.59
TUBB2A Q13885 5/20 0.59
TUBB8 Q3ZCM7 5/20 0.59
TUBA3E Q6PEY2 5/20 0.59
TUBA1A Q71U36 5/20 0.59
TUBA1C Q9BQE3 5/20 0.59
TUBB6 Q9BUF5 5/20 0.59
TUBB2B Q9BVA1 5/20 0.59
TRPA1 O75762 1/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL27414286 0.84 APP (0.62) APPTUBB1TUBB4ATUBBTUBA3C
SCHEMBL33786 0.81 TRPA1 (0.68) APPTUBB1TUBB4ATUBBTUBA3C
SCHEMBL29778007 0.81 TRPA1 (0.68) APPTUBB1TUBB4ATUBBTUBA3C
SCHEMBL29955520 0.80 ALDH1A1 (0.68) APPTUBB1TUBB4ATUBBTUBA3C
SCHEMBL1324627 0.80 ALDH1A1 (0.68) APPTUBB1TUBB4ATUBBTUBA3C
Methoxymethane SCHEMBL28668338 0.79 TRPA1 (0.66) APPTUBB1TUBB4ATUBBTUBA3C
Ethylene SCHEMBL28209809 0.79 TRPA1 (0.66) APPTUBB1TUBB4ATUBBTUBA3C
SCHEMBL365142 0.78 APP (0.71) APPTUBB1TUBB4ATUBBTUBA3C
SCHEMBL30119825 0.78 TRPA1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL165188 0.78 TRPA1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20170027948-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS CEPHALON, INC. 2017-02-02 US disclosed
US-9487529-B2 Macrocyclic compounds as ALK, FAK and JAK2 inhibitors CEPHALON, INC. (US) 2016-11-08 US disclosed
EP-2686323-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2014-01-22 EP disclosed
WO-2013166037-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF EYE DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-11-07 WO disclosed
WO-2013107761-A1 SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION NEUROLOGICAL AND PSYCHIATRIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 WO disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012125603-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-09-20 WO disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (4 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-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 APP 3287/4885TUBB1 1918/4885TUBB4A 1471/4885
US-20170027948-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS JAK2, ALK, JAK1 APP 4063/4885TUBB1 2203/4885TUBB4A 2541/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 APP 3287/4885TUBB1 1918/4885TUBB4A 1471/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 APP 3287/4885TUBB1 1918/4885TUBB4A 1471/4885

“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.