SCHEMBL913844

SCHEMBL913844

CC(=O)Nc1cccc(Nc2ncc(C(=O)O)c(N(C)C3CCNC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.47
EGFR P00533 3/20 0.44
BTK Q06187 2/20 0.44
KCNH2 Q12809 5/20 0.43
SYK P43405 4/20 0.43
MAPK3 P27361 3/20 0.43
MAPK1 P28482 3/20 0.43
AURKB Q96GD4 3/20 0.43
SCN9A Q15858 3/20 0.43
SRC P12931 1/20 0.43
MAP4K1 Q92918 1/20 0.41
ITK Q08881 1/20 0.41
PTK2 Q05397 2/20 0.41
CHEK1 O14757 1/20 0.40
CNR2 P34972 1/20 0.40
CSNK2A1 P68400 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
SCHEMBL913951 0.87 KCNH2 (0.51) MAP3K5EGFRKCNH2SYKMAPK3
SCHEMBL913635 0.86 SYK (0.48) MAP3K5EGFRBTKKCNH2SYK
SCHEMBL913759 0.81 MAP3K5 (0.52) MAP3K5EGFRBTKSYKSCN9A
SCHEMBL915078 0.81 SYK (0.54) MAP3K5EGFRSYKSCN9AITK
SCHEMBL913817 0.80 JAK3 (0.55) MAP3K5EGFRKCNH2SYKMAPK3
SCHEMBL913845 0.78 SYK (0.50) MAP3K5EGFRBTKKCNH2SYK
SCHEMBL913989 0.74 SYK (0.47) MAP3K5BTKSYKSCN9A
SCHEMBL913484 0.74 SYK (0.47) MAP3K5EGFRBTKSYKSCN9A
SCHEMBL3715143 0.73 MAP3K5 (0.51) MAP3K5EGFRBTKSYKSCN9A
SCHEMBL913554 0.72 SYK (0.45) MAP3K5SYKSCN9APTK2

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 7 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
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 MAP3K5 21/4885EGFR 772/4885BTK 17/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 MAP3K5 21/4885EGFR 772/4885BTK 17/4885

“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.