SCHEMBL3884725

SCHEMBL3884725

COC(=N)c1c(N)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.53
▸ KIT P10721 2/20 0.52
▸ SMARCA2 P51531 1/20 0.44
▸ SMARCA4 P51532 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ ADK P55263 1/20 0.42
▸ BTK Q06187 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39

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
SCHEMBL3883736 0.88 MAP4K4 (0.50) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL22308908 0.86 MAP4K4 (0.56) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL15728505 0.83 MAP4K4 (0.61) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL31737885 0.81 MAP4K4 (0.58) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL3882261 0.81 MAP4K4 (0.55) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL14782331 0.80 MAP4K4 (0.57) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL31737149 0.77 KIT (0.55) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL22308912 0.77 MAP4K4 (0.54) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL20213304 0.77 KIT (0.53) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL2795551 0.77 MAP4K4 (0.54) MAP4K4KITSMARCA2SMARCA4PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898917-B1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 — — EP disclosed
EP-1898917-A1 AMINOPYRIMIDINES AS KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 — — EP disclosed
US-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 — — US disclosed
WO-2006135719-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS BAUMANN CHRISTIAN A 2006-12-14 — — 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-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TK1 MAP4K4 340/4885KIT 2/4885SMARCA2 3457/4885
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, CSF3R, CSF1R MAP4K4 641/4885KIT 80/4885SMARCA2 3994/4885

“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.

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