SCHEMBL9943065

SCHEMBL9943065

CC1(NC(=O)OC(C)(C)C)CCN(Cc2c[nH]c3ncnc(Nc4ccc(Cl)cc4)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.42
CDK1 P06493 1/20 0.39
AKT1 P31749 3/20 0.38
DRD2 P14416 9/20 0.38
BTK Q06187 2/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
DRD3 P35462 4/20 0.37
DRD4 P21917 3/20 0.37
AAK1 Q2M2I8 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL9898479 0.86 EGFR (0.43) EGFR
SCHEMBL9899033 0.86 AAK1 (0.35) CDK1BTKEGFRSRCAAK1
SCHEMBL9943114 0.85 BTK (0.36) AKT1DRD2BTKDRD3DRD4
SCHEMBL9897723 0.85 MKNK1 (0.46) MKNK1DRD2BTKEGFRSRC
SCHEMBL9895699 0.84 EGFR (0.41) CDK1EGFRSRC
SCHEMBL9928304 0.82 DRD4 (0.43) MKNK1AKT1DRD2DRD3DRD4
SCHEMBL9928264 0.82 STK4 (0.46) MKNK1AKT1DRD2EGFRDRD3
SCHEMBL9900267 0.80 BTK (0.42) MKNK1CDK1BTKEGFRSRC
SCHEMBL9900265 0.80 BTK (0.42) MKNK1CDK1BTKEGFRSRC
SCHEMBL9900273 0.80 BTK (0.42) MKNK1CDK1BTKEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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 (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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 MKNK1 1537/4885CDK1 27/4885AKT1 561/4885

“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.