SCHEMBL3883736

SCHEMBL3883736

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.50
▸ KIT P10721 2/20 0.47
▸ BTK Q06187 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SMARCA2 P51531 1/20 0.42
▸ SMARCA4 P51532 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.42
▸ ADK P55263 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 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
SCHEMBL3884725 0.88 MAP4K4 (0.53) MAP4K4KITBTKMAPTCNR1
SCHEMBL22308908 0.83 MAP4K4 (0.56) MAP4K4KITBTKMAPTCNR1
SCHEMBL31737885 0.81 MAP4K4 (0.58) MAP4K4KITMAPTCNR1CNR2
SCHEMBL15728505 0.81 MAP4K4 (0.61) MAP4K4KITMAPTCNR1CNR2
SCHEMBL3882261 0.78 MAP4K4 (0.55) MAP4K4KITMAPTCNR1CNR2
SCHEMBL14782331 0.78 MAP4K4 (0.57) MAP4K4KITMAPTCNR1CNR2
SCHEMBL31737149 0.77 KIT (0.55) MAP4K4KITMAPTCNR1CNR2
SCHEMBL3883740 0.76 FLT3 (0.60) MAP4K4KIT
SCHEMBL14597011 0.76 FLT3 (0.60) MAP4K4KIT
SCHEMBL13956859 0.76 FLT3 (0.60) MAP4K4KIT

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
EP-1898917-B1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 — — EP disclosed
EP-1901745-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-26 — — 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
WO-2006135713-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS AND A FARNESYL TRANSFERASE INHIBITOR 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 2/4885BTK 110/4885
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, CSF3R, CSF1R MAP4K4 641/4885KIT 80/4885BTK 50/4885

“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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