SCHEMBL913828

SCHEMBL913828

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)C3CCCN(C(=O)Nc4ccc(F)cc4)C3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.46
CCNT1 O60563 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
CDK9 P50750 3/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 4/20 0.42
LCK P06239 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BTK Q06187 1/20 0.40
CCR3 P51677 1/20 0.40
MARK3 P27448 1/20 0.40
MARK4 Q96L34 1/20 0.40
STK17A Q9UEE5 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ULK1 O75385 1/20 0.40
PDK1 Q15118 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
SCHEMBL913484 0.90 SYK (0.47) SYKJAK3LCKBTKMAP3K5
SCHEMBL913989 0.90 SYK (0.47) SYKJAK3LCKBTKMAP3K5
SCHEMBL915078 0.85 SYK (0.54) SYKJAK3LCKMAP3K5
SCHEMBL913817 0.84 JAK3 (0.55) SYKJAK3LCKMAP3K5
SCHEMBL913554 0.83 SYK (0.45) SYKJAK2JAK1JAK3LCK
SCHEMBL913830 0.82 SYK (0.58) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL913759 0.82 MAP3K5 (0.52) SYKJAK3LCKBTKMAP3K5
SCHEMBL913951 0.79 KCNH2 (0.51) SYKJAK3LCKMAP3K5
SCHEMBL913635 0.79 SYK (0.48) SYKJAK3LCKBTKMAP3K5
SCHEMBL914485 0.75 JAK3 (0.49) SYKJAK3LCK

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 SYK 72/4885CCNT1 901/4885CCNE1 1493/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885CCNT1 901/4885CCNE1 1493/4885

“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.