SCHEMBL13167691

SCHEMBL13167691

NNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.81
PRKD3 O94806 2/20 0.76
MAP4K4 O95819 2/20 0.76
PRKACA P17612 2/20 0.76
CSNK1A1 P48729 2/20 0.76
CSNK1D P48730 2/20 0.76
MINK1 Q8N4C8 2/20 0.76
MAP4K5 Q9Y4K4 2/20 0.76
MAPK13 O15264 1/20 0.76
RIPK2 O43353 1/20 0.76
DYRK3 O43781 1/20 0.76
PRKCG P05129 1/20 0.76
LCK P06239 1/20 0.76
LYN P07948 1/20 0.76
RET P07949 1/20 0.76
PIM1 P11309 1/20 0.76
MAPK1 P28482 1/20 0.76
FLT4 P35916 1/20 0.76
KDR P35968 1/20 0.76
MAPK9 P45984 1/20 0.76

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
SCHEMBL1640306 0.90 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1
Sb-220025 SCHEMBL173441 0.86 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6581980 0.86 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL22730369 0.86 MAPK14 (0.85) MAPK14PRKD3MAP4K4PRKACACSNK1A1
Sb-220025 SCHEMBL18066291 0.85 MAPK14 (0.98) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6579510 0.85 MAPK14 (0.80) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL4585589 0.84 MAPK14 (0.80) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL7136557 0.84 MAPK14 (0.77) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL22730357 0.84 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6578659 0.84 BRD4 (0.78) MAPK14PRKD3MAP4K4PRKACACSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20140228310-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2014-08-14 US disclosed
US-8741936-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2014-06-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-20120258924-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2012-10-11 US disclosed
US-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2010-09-23 US disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 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-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885PRKD3 153/4885MAP4K4 24/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 MAPK14 43/4885PRKD3 343/4885MAP4K4 39/4885
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885PRKD3 153/4885MAP4K4 24/4885
US-20140228310-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885PRKD3 153/4885MAP4K4 24/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 MAPK14 43/4885PRKD3 343/4885MAP4K4 39/4885
US-20120258924-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885PRKD3 153/4885MAP4K4 24/4885

“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.