SCHEMBL2722018

SCHEMBL2722018

Cc1ccc(C(=O)NCC2CC2)cc1-c1nc(NC(CO)COC(=O)C(F)(F)F)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.38
EPHA3 P29320 1/20 0.36
FRK P42685 1/20 0.36
CYP2C9 P11712 2/20 0.36
HSPB1 P04792 1/20 0.36
MAPK11 Q15759 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 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
Trifluoroacetic Acid SCHEMBL2722016 0.92 MAPK14 (0.41) MAPK14EPHA3FRKCYP2C9HSPB1
SCHEMBL2719973 0.92 MAPK14 (0.44) MAPK14EPHA3FRKCYP2C9HSPB1
SCHEMBL2721115 0.91 MAPK14 (0.42) MAPK14MAPK11RAF1
SCHEMBL2720499 0.91 RAF1 (0.35) MAPK14MAPK11RAF1BRAF
SCHEMBL2719794 0.90 MAPK14 (0.39) MAPK14MAPK11RAF1
SCHEMBL2719665 0.90 MAPK14 (0.39) MAPK14MAPK11RAF1
SCHEMBL2721215 0.90 RAF1 (0.34) MAPK14MAPK11RAF1BRAF
SCHEMBL2730303 0.89 MAPT (0.35) MAPK14RAF1BRAF
SCHEMBL2720883 0.88 RAF1 (0.33) MAPK14RAF1BRAF
SCHEMBL2720044 0.88 TP53 (0.36) RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 US disclosed
US-20090156597-A1 Novel Compounds GLAXO GROUP LIMITED 2009-06-18 US disclosed
US-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 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-20100144755-A1 Novel Compounds MAPKAPK2, CDC42BPB, MAPK8 MAPK14 35/4885EPHA3 2565/4885FRK 1024/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 MAPK14 43/4885EPHA3 2719/4885FRK 901/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 MAPK14 35/4885EPHA3 2565/4885FRK 1024/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 MAPK14 43/4885EPHA3 2719/4885FRK 901/4885

“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.