SCHEMBL3014764

SCHEMBL3014764

C[C@H]1CC[C@H](c2cn3nc(N)cc(Nc4ccc(-n5cncn5)cc4)c3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 4/20 0.36
SYK P43405 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPK10 P53779 1/20 0.35
PDGFRA P16234 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
ACVR1 Q04771 1/20 0.31
BTK Q06187 1/20 0.30

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
SCHEMBL3531182 0.92 PDGFRA (0.42) CYP3A4CYP2C9SYKPSEN1PSEN2
SCHEMBL3009174 0.77 PDGFRA (0.41) SYKPDGFRABRD4
SCHEMBL3022656 0.77 PDGFRA (0.41) SYKPDGFRABRD4
SCHEMBL3531102 0.76 LMNA (0.36) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL3021675 0.76 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3012712 0.76 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3011161 0.75 SRC (0.36)
SCHEMBL3013546 0.74 SRC (0.33) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL3010743 0.74 SRC (0.33) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL3006984 0.74 SYK (0.38) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CYP3A4 2214/4885CYP2C9 2670/4885SYK 781/4885

“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.