SCHEMBL2443953

SCHEMBL2443953

ON1NN(O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TLR9 Q9NR96 1/20 0.32
BCHE P06276 2/20 0.31
KDM4E B2RXH2 4/20 0.31
PTGS1 P23219 2/20 0.31
RAB9A P51151 2/20 0.31
ESR1 P03372 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP3 P08254 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
LOX P28300 1/20 0.31
ADRA1A P35348 1/20 0.31
GFER P55789 1/20 0.31
LOXL3 P58215 1/20 0.31
LOXL4 Q96JB6 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 2/20 0.30

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
Water SCHEMBL4329297 0.97 KDM4E (0.35) GAASMN1; SMN2TLR9BCHEKDM4E
SCHEMBL7490735 0.87
SCHEMBL15160002 0.82 MAOA (0.33) GAASMN1; SMN2ALDH1A1ALOX15LMNA
SCHEMBL15432229 0.82 P2RX4 (0.31) BCHEPTGS1P2RX4P2RX1P2RX3
SCHEMBL15158571 0.77 MEN1 (0.31)
SCHEMBL7723598 0.75 MYC (0.34) SMN1; SMN2TSHR
SCHEMBL29090289 0.72 CYP2D6 (0.30) PTGS1ESR1CHRM1ADRA1AALDH1A1
SCHEMBL21082763 0.69 TLR9 (0.43) SMN1; SMN2TLR9BCHEKDM4EPTGS1
SCHEMBL5894079 0.67 TLR9 (0.35) GAASMN1; SMN2TLR9BCHEKDM4E
SCHEMBL4594319 0.66 GAA (0.36) GAASMN1; SMN2TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 EP disclosed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
US-8017641-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-13 US disclosed
US-7799782-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-21 US disclosed
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-11 US disclosed
US-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-05-28 US disclosed
US-7521447-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-21 US disclosed
EP-1997810-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
US-7135575-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2006-11-14 US disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 EP disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US disclosed
US-20040180896-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2004-09-16 US disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 WO disclosed
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections ARRAY BIOPHARMA INC. 2004-09-09 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 (6 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-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 GAA 3147/4885SMN1; SMN2 2613/4885TLR9 912/4885
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 GAA 1749/4885SMN1; SMN2 928/4885TLR9 480/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 GAA 3147/4885SMN1; SMN2 2613/4885TLR9 912/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 GAA 3147/4885SMN1; SMN2 2613/4885TLR9 912/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 GAA 2590/4885SMN1; SMN2 3272/4885TLR9 813/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 GAA 2590/4885SMN1; SMN2 3272/4885TLR9 813/4885

“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.