SCHEMBL2444717

SCHEMBL2444717

OCCCn1ncc2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.50
SYK P43405 4/20 0.43
GLS O94925 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
S1PR1 P21453 1/20 0.37
EGFR P00533 2/20 0.36
CYP1A2 P05177 1/20 0.36
MCL1 Q07820 1/20 0.36
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL29804486 0.90 KMO (0.52) KMOSYKGLSHDAC8HTR2A
SCHEMBL15447295 0.90 KMO (0.52) KMOSYKGLSHDAC8HTR2A
SCHEMBL539125 0.86 KMO (0.48) KMOGLSHDAC8HTR2AHTR2C
SCHEMBL21780866 0.83 KMO (0.46) KMOGLSHDAC8HTR2AHTR2C
SCHEMBL109465 0.82 KMO (0.50) KMOGLSHDAC8HTR2AHTR2C
SCHEMBL14320695 0.81 CHEK1 (0.48) KMOSYKGLSHTR2AHTR2C
SCHEMBL13548 0.81 KMO (0.49) KMOGLSHDAC8HTR2AHTR2C
SCHEMBL21183580 0.81 KMO (0.49) KMOGLSHDAC8HTR2AHTR2C
SCHEMBL539021 0.80 EGFR (0.46) KMOEGFR
SCHEMBL29209107 0.78 KMO (0.60) KMOGLSHDAC8HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997811-B1 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-04-08 EP disclosed
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-2039685-A2 Heterobicyclic compounds as P38 inhibitors Array Biopharma, Inc. (US) 2009-03-25 EP disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997810-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997811-A2 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors Array Biopharma Inc. (US) 2008-12-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 KMO 4329/4885SYK 1397/4885GLS 443/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 KMO 4329/4885SYK 1397/4885GLS 443/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 KMO 4329/4885SYK 1397/4885GLS 443/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 KMO 4027/4885SYK 1071/4885GLS 1081/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 KMO 4027/4885SYK 1071/4885GLS 1081/4885

“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.