SCHEMBL2443908

SCHEMBL2443908

CC(C)Cn1ncc2cc(C(O)c3ccc(F)cc3F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.54
HTR2C P28335 5/20 0.54
NR3C1 P04150 8/20 0.46
MAPK14 Q16539 1/20 0.43
S1PR1 P21453 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR2B P41595 2/20 0.35
HTR1D P28221 1/20 0.35
HTR7 P34969 1/20 0.35
HTR4 Q13639 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
SCHEMBL2443310 0.89 HTR2A (0.44) HTR2AHTR2CNR3C1MAPK14S1PR1
SCHEMBL2445235 0.89 HTR2A (0.52) HTR2AHTR2CNR3C1MAPK14S1PR1
SCHEMBL4778532 0.89 HTR2A (0.44) HTR2AHTR2CNR3C1MAPK14S1PR1
SCHEMBL2443528 0.87 NR3C1 (0.61) HTR2AHTR2CNR3C1MAPK14GPR139
SCHEMBL2447136 0.80 KMO (0.45) HTR2AHTR2CNR3C1GPR139HTR1A
SCHEMBL5173258 0.79 GAA (0.45) HTR2AHTR2CNR3C1CYP3A4CYP2D6
SCHEMBL2443410 0.74 HTR2A (0.53) HTR2AHTR2CNR3C1MAPK14S1PR1
SCHEMBL16573724 0.74 HTR2A (0.55) HTR2AHTR2CMAPK14S1PR1HTR2B
SCHEMBL2446592 0.74 HTR2A (0.55) HTR2AHTR2CMAPK14KDM4C
SCHEMBL2447222 0.73 HTR2A (0.51) HTR2AHTR2CNR3C1MAPK14S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1997811-A2 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors 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 HTR2A 3533/4885HTR2C 3263/4885NR3C1 492/4885
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 HTR2A 4514/4885HTR2C 4472/4885NR3C1 571/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 HTR2A 3533/4885HTR2C 3263/4885NR3C1 492/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 HTR2A 3533/4885HTR2C 3263/4885NR3C1 492/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 HTR2A 3462/4885HTR2C 3240/4885NR3C1 686/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 HTR2A 3462/4885HTR2C 3240/4885NR3C1 686/4885

“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.