SCHEMBL2448337

SCHEMBL2448337

CN(C)CCn1ncc2cc(Oc3ccc(F)cc3C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
BCR P11274 1/20 0.40
FGFR1 P11362 1/20 0.40
BRAF P15056 1/20 0.40
EPHA1 P21709 1/20 0.40
EPHA2 P29317 1/20 0.40
ABL2 P42684 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
IRAK1 P51617 1/20 0.40
MAPK10 P53779 1/20 0.40
EPHB3 P54753 1/20 0.40
EPHB4 P54760 1/20 0.40

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
SCHEMBL12216031 0.89 AR (0.41) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL379029 0.87 MAP4K4 (0.46) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL2440738 0.84 HTR2A (0.50) MAPK14ARHTR2AHTR2CSLC22A12
SCHEMBL2441913 0.83 GRIN2B (0.41) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL2445697 0.83 AR (0.44) KDM1AKCNH2ARSLC22A12
SCHEMBL2446819 0.83 MAPK14 (0.45) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL4794994 0.83 MAPK14 (0.45) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL12216030 0.82 MAP4K4 (0.40) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL2446966 0.82 AR (0.41) MAPK14MAP4K4ABL1NTRK1FYN
SCHEMBL378721 0.82 HTR2A (0.46) MAPK14MAP4K4ABL1NTRK1FYN

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997811-B1 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-04-08 EP 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
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-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997810-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-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 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 (4 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 MAPK14 37/4885MAP4K4 45/4885ABL1 174/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 MAPK14 37/4885MAP4K4 45/4885ABL1 174/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 MAPK14 37/4885MAP4K4 45/4885ABL1 174/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 MAPK14 39/4885MAP4K4 41/4885ABL1 111/4885

“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.