SCHEMBL2443410

SCHEMBL2443410

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
MAPK14 Q16539 3/20 0.49
HDAC2 Q92769 3/20 0.43
HDAC1 Q13547 1/20 0.43
NTRK1 P04629 1/20 0.41
HDAC3 O15379 1/20 0.41
KDM4C Q9H3R0 2/20 0.39
MAOB P27338 1/20 0.39
S1PR1 P21453 2/20 0.38
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
KMT2A Q03164 1/20 0.37
KMO O15229 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL2442698 0.89 KMO (0.47) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2447630 0.89 HTR2A (0.51) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2444738 0.87 HTR2A (0.55) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2447222 0.85 HTR2A (0.51) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2447221 0.85 HTR2A (0.51) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2444246 0.83 HDAC2 (0.44) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2450174 0.82 HDAC2 (0.43) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL14312363 0.81 HTR2A (0.47) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2452000 0.81 HTR2A (0.47) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2448549 0.80 KMO (0.49) HTR2AHTR2CMAOBKMT2AKMO

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 19 patents. 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
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-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
US-7135575-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2006-11-14 US 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
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 3263/4885MAPK14 37/4885
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 4472/4885MAPK14 29/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 HTR2A 3533/4885HTR2C 3263/4885MAPK14 37/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 HTR2A 3533/4885HTR2C 3263/4885MAPK14 37/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 HTR2A 3462/4885HTR2C 3240/4885MAPK14 39/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 HTR2A 3462/4885HTR2C 3240/4885MAPK14 39/4885

“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.