SCHEMBL9897618

SCHEMBL9897618

C=Cc1cccc(Nc2ncnc3[nH]cc(CN4CCC(NC(=O)OC(C)(C)C)CC4)c23)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.47
BTK Q06187 10/20 0.46
JAK3 P52333 2/20 0.41
EGFR P00533 1/20 0.40
KCNA3 P22001 1/20 0.39
SYK P43405 1/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL9897164 0.89 AAK1 (0.50) AAK1BTKEGFR
SCHEMBL9898208 0.89 AAK1 (0.48) AAK1BTKEGFR
SCHEMBL9898368 0.87 AAK1 (0.48) AAK1BTKEGFRKCNA3
SCHEMBL9897094 0.85 AAK1 (0.51) AAK1BTKEGFR
SCHEMBL9897560 0.84 BTK (0.51) AAK1BTKJAK3KCNA3AKT1
SCHEMBL9928281 0.83 AAK1 (0.55) AAK1JAK3EGFR
SCHEMBL13471641 0.83 BTK (0.53) AAK1BTKJAK3
SCHEMBL9897577 0.83 AAK1 (0.52) AAK1BTKJAK3KCNA3
SCHEMBL9898224 0.83 AAK1 (0.56) AAK1BTKEGFR
SCHEMBL9904064 0.82 AAK1 (0.65) AAK1EGFR

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 50/4885JAK3 204/4885

“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.