SCHEMBL4383672

SCHEMBL4383672

CC(=O)N1CCN(c2ccc(Nc3nc(N4CCC(O)C4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.52
BTK Q06187 4/20 0.52
EGFR P00533 2/20 0.51
TTK P33981 6/20 0.49
ALK Q9UM73 1/20 0.46
JAK1 P23458 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
FLT3 P36888 1/20 0.45
SYK P43405 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45

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
SCHEMBL4383660 1.00 JAK3 (0.52) JAK3BTKEGFRTTKALK
SCHEMBL27912557 0.90 JAK3 (0.50) JAK3BTKEGFRTTKJAK1
SCHEMBL4382944 0.87 PAK4 (0.59) JAK3BTKEGFRTTKSYK
SCHEMBL4382956 0.87 PAK4 (0.59) JAK3BTKEGFRTTKSYK
SCHEMBL1019450 0.87 JAK3 (0.55) JAK3BTKEGFRTTKALK
SCHEMBL1018408 0.86 SYK (0.51) JAK3BTKEGFRTTKSYK
SCHEMBL1017585 0.86 JAK3 (0.54) JAK3BTKEGFRTTKALK
SCHEMBL1018567 0.86 PTK2 (0.50) JAK3BTKEGFRTTKJAK1
SCHEMBL1074127 0.86 PTK2 (0.50) JAK3BTKEGFRTTKJAK1
SCHEMBL1019395 0.86 EGFR (0.50) JAK3BTKEGFRTTKALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US claimed
EP-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 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 (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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 JAK3 6/4885BTK 2/4885EGFR 805/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 JAK3 6/4885BTK 2/4885EGFR 805/4885

“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.