SCHEMBL2448549

SCHEMBL2448549

CC(C)Cn1ncc2cc(C(=O)c3ccc(Cl)cc3Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 8/20 0.49
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE9A O76083 1/20 0.39
HPD P32754 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2442698 0.89 KMO (0.47) KMOMAPTMAOAMAOBHTR2A
SCHEMBL2447630 0.89 HTR2A (0.51) KMOMAPTMAOAMAOBHTR2A
SCHEMBL2443410 0.80 HTR2A (0.53) KMOMAOBHTR2AHTR2CKMT2A
SCHEMBL2440808 0.80 ALDH1A1 (0.51) KMOHTR2AHTR2CKMT2AHPD
SCHEMBL2440810 0.79 HTR2A (0.44) KMORAB9ASRD5A2MAOAMAOB
SCHEMBL2444738 0.78 HTR2A (0.55) KMOMAOBHTR2AHTR2C
SCHEMBL23467033 0.75 MAOA (0.46) KMOMAOAMAOBHTR2AHTR2C
SCHEMBL2447136 0.74 KMO (0.45) KMOHTR2AHTR2CPDE9A
SCHEMBL2446138 0.73 KMO (0.43) KMOMAPTRAB9AHTR2AHTR2C
SCHEMBL16929718 0.70 KMO (0.43) KMOMAOAMAOBMAPK1

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 20 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
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-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 KMO 4329/4885MAPT 1859/4885RAB9A 2506/4885
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 KMO 3115/4885MAPT 329/4885RAB9A 1475/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 KMO 4329/4885MAPT 1859/4885RAB9A 2506/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 KMO 4329/4885MAPT 1859/4885RAB9A 2506/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 KMO 4027/4885MAPT 1512/4885RAB9A 2109/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 KMO 4027/4885MAPT 1512/4885RAB9A 2109/4885

“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.