SCHEMBL9898642

SCHEMBL9898642

CC(C)(C)OC(=O)NC1CCN(Cc2c[nH]c3ncnc(Nc4ccc5occc5c4)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.48
BTK Q06187 10/20 0.44
KCNH2 Q12809 1/20 0.37
MCHR2 Q969V1 1/20 0.37
MCHR1 Q99705 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
JAK3 P52333 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KCNA3 P22001 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 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
SCHEMBL9897094 0.86 AAK1 (0.51) AAK1BTKEGFRERBB2
SCHEMBL9943131 0.86 AAK1 (0.48) AAK1BTKEGFR
SCHEMBL9899033 0.86 AAK1 (0.35) AAK1BTKJAK3EGFRERBB2
SCHEMBL9897560 0.86 BTK (0.51) AAK1BTKJAK3KCNA3
SCHEMBL13471641 0.85 BTK (0.53) AAK1BTKJAK3
SCHEMBL9898224 0.84 AAK1 (0.56) AAK1BTKEGFRERBB2
SCHEMBL9897164 0.84 AAK1 (0.50) AAK1BTKSTK4STK3LRRK2
SCHEMBL9898208 0.84 AAK1 (0.48) AAK1BTKEGFRERBB2
SCHEMBL9899608 0.84 KDR (0.34) AAK1BTKEGFRERBB2
SCHEMBL9928279 0.83 LRRK2 (0.39) AAK1LRRK2EGFRERBB2

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 4 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
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
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 AAK1 709/4885BTK 50/4885KCNH2 1106/4885

“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.