SCHEMBL2443518

SCHEMBL2443518

CON=C(c1ccc2c(cnn2S(C)(=O)=O)c1)c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP1A2 P05177 1/20 0.33
MAOB P27338 2/20 0.32
ESR1 P03372 1/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC1 Q13547 1/20 0.32
MAOA P21397 1/20 0.31
SCN9A Q15858 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 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
SCHEMBL14312205 1.00 CYP11B1 (0.36) CYP11B1CYP11B2CYP1A2MAOBESR1
SCHEMBL2443944 0.89 CYP1A2 (0.35) CYP11B1CYP11B2CYP1A2MAOBESR1
SCHEMBL2443942 0.89 CYP1A2 (0.35) CYP11B1CYP11B2CYP1A2MAOBESR1
SCHEMBL14312258 0.84 MAOB (0.44) CYP11B1CYP11B2MAOBESR1MAOA
SCHEMBL14312343 0.83 MAPK14 (0.42) CYP11B1CYP11B2CYP1A2MAOBESR1
SCHEMBL14312264 0.79 HTR2A (0.38) CYP11B1CYP11B2MAOBESR1HDAC2
SCHEMBL14312271 0.79 HTR2A (0.38) CYP11B1CYP11B2MAOBESR1HDAC2
SCHEMBL2444773 0.79 HTR2A (0.38) CYP11B1CYP11B2MAOBESR1HDAC2
SCHEMBL2440705 0.79 HTR2A (0.38) CYP11B1CYP11B2MAOBESR1HDAC2
SCHEMBL14312209 0.73 CTNNB1 (0.48) MAOBESR1MAOA

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
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US claimed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
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
EP-1997810-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP 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 CYP11B1 383/4885CYP11B2 503/4885CYP1A2 3236/4885
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 CYP11B1 1478/4885CYP11B2 1936/4885CYP1A2 3395/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 CYP11B1 383/4885CYP11B2 503/4885CYP1A2 3236/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 CYP11B1 383/4885CYP11B2 503/4885CYP1A2 3236/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 CYP11B1 448/4885CYP11B2 572/4885CYP1A2 2617/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 CYP11B1 448/4885CYP11B2 572/4885CYP1A2 2617/4885

“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.