SCHEMBL913635

SCHEMBL913635

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)C3CCNCC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.48
KCNH2 Q12809 7/20 0.48
MAPK3 P27361 4/20 0.48
MAPK1 P28482 4/20 0.48
AURKB Q96GD4 4/20 0.48
MAP3K5 Q99683 2/20 0.48
EGFR P00533 4/20 0.46
JAK3 P52333 3/20 0.46
LCK P06239 2/20 0.46
ITK Q08881 1/20 0.45
SRC P12931 1/20 0.43
BTK Q06187 1/20 0.43
ABL1 P00519 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL913759 0.93 MAP3K5 (0.52) SYKMAP3K5EGFRJAK3LCK
SCHEMBL915078 0.93 SYK (0.54) SYKMAP3K5EGFRJAK3LCK
SCHEMBL913817 0.92 JAK3 (0.55) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL913951 0.90 KCNH2 (0.51) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL913844 0.86 MAP3K5 (0.47) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL913484 0.83 SYK (0.47) SYKMAP3K5EGFRJAK3LCK
SCHEMBL913989 0.83 SYK (0.47) SYKMAP3K5JAK3LCKBTK
SCHEMBL913554 0.81 SYK (0.45) SYKMAP3K5JAK3LCK
SCHEMBL3715143 0.81 MAP3K5 (0.51) SYKMAP3K5EGFRJAK3ITK
SCHEMBL913639 0.80 SYK (0.54) SYKKCNH2MAPK3MAPK1AURKB

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-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO claimed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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 (2 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885KCNH2 3916/4885MAPK3 99/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885KCNH2 3916/4885MAPK3 99/4885

“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.