SCHEMBL9897577

SCHEMBL9897577

CC(C)(C)OC(=O)NC1CCN(Cc2c[nH]c3ncnc(Nc4cc(F)c(F)c(F)c4)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.52
BTK Q06187 10/20 0.44
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
JAK3 P52333 3/20 0.39
KCNA3 P22001 1/20 0.36
MAP3K6 O95382 1/20 0.36
MAP3K5 Q99683 1/20 0.36

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
SCHEMBL9899394 0.89 AAK1 (0.48) AAK1BTKPARP1PARP2JAK3
SCHEMBL9898224 0.88 AAK1 (0.56) AAK1BTK
SCHEMBL9897094 0.86 AAK1 (0.51) AAK1BTK
SCHEMBL13471641 0.85 BTK (0.53) AAK1BTKJAK3
SCHEMBL9897560 0.85 BTK (0.51) AAK1BTKJAK3KCNA3
SCHEMBL9897164 0.85 AAK1 (0.50) AAK1BTK
SCHEMBL9898208 0.85 AAK1 (0.48) AAK1BTK
SCHEMBL9898368 0.83 AAK1 (0.48) AAK1BTKKCNA3
SCHEMBL9898642 0.83 AAK1 (0.48) AAK1BTKJAK3KCNA3
SCHEMBL9897618 0.83 AAK1 (0.47) AAK1BTKJAK3KCNA3

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 3 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
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 50/4885PARP1 630/4885

“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.