SCHEMBL2444738

SCHEMBL2444738

CC(C)Cn1ncc2cc(C(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.55
HTR2C P28335 4/20 0.55
MAPK14 Q16539 1/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMO Q99835 4/20 0.42
KMO O15229 1/20 0.40
MAOB P27338 1/20 0.40
NR3C1 P04150 1/20 0.39
VNN1 O95497 1/20 0.39
NTRK1 P04629 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
LTA4H P09960 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38

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
SCHEMBL2440810 0.89 HTR2A (0.44) HTR2AHTR2CHDAC2HDAC1HDAC3
SCHEMBL2443410 0.87 HTR2A (0.53) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2447630 0.85 HTR2A (0.51) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2443967 0.83 HTR2A (0.53) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2443965 0.83 HTR2A (0.53) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2442698 0.81 KMO (0.47) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL14312094 0.80 HTR2A (0.50) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2444949 0.80 HTR2A (0.50) HTR2AHTR2CMAPK14HDAC2HDAC1
SCHEMBL2440808 0.80 ALDH1A1 (0.51) HTR2AHTR2CMAPK14KMONR3C1
SCHEMBL23467033 0.80 MAOA (0.46) HTR2AHTR2CMAPK14KMOMAOB

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 27 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
CN-101759645-B P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2014-06-25 CN 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
CN-101759645-A P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2010-06-30 CN disclosed
CN-100579976-C p38 inhibitors and methods of their use ARRAY BIOPHARMA INC 2010-01-13 CN disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 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
CN-1784396-A p38 inhibitors and methods of their use ARRAY BIOPHARMA INC (US) 2006-06-07 CN 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 (3 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-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-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.