SCHEMBL3286398

SCHEMBL3286398

CN(C)C(=O)C1CCN(c2ccc(Nc3nc(Nc4ccc5nc[nH]c5c4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.49
JAK2 O60674 1/20 0.46
BRD4 O60885 1/20 0.46
JAK3 P52333 8/20 0.45
BTK Q06187 7/20 0.45
EGFR P00533 3/20 0.44
PTK2 Q05397 2/20 0.43
IGF1R P08069 1/20 0.42
CDK1 P06493 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
SCHEMBL12083079 0.83 SYK (0.64) SYKJAK3BTKEGFRPTK2
SCHEMBL12085445 0.81 SYK (0.65) SYKJAK3BTKEGFRPTK2
SCHEMBL3280668 0.78 CDK1 (0.46) SYKJAK3BTKPTK2CDK1
SCHEMBL3279981 0.72 PDGFRB (0.56) SYKJAK2BRD4JAK3BTK
SCHEMBL12085300 0.72 ULK1 (0.57) SYKJAK3BTKCDK1
SCHEMBL13387040 0.70 CDK1 (0.54) SYKCDK1
SCHEMBL3286821 0.70 SYK (0.69) SYKJAK2BRD4JAK3BTK
SCHEMBL3279475 0.69 SYK (0.51) SYKJAK2BRD4JAK3BTK
SCHEMBL1018558 0.69 PTK2 (0.57) SYKJAK2BRD4JAK3BTK
SCHEMBL4383026 0.69 JAK3 (0.59) JAK2BRD4JAK3BTKPTK2

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-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
WO-2009026107-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 WO disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 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 (1 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-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK SYK 1/4885JAK2 2/4885BRD4 716/4885

“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.