SCHEMBL9897560

SCHEMBL9897560

Cc1ccc(Nc2ncnc3[nH]cc(CN4CCC(NC(=O)OC(C)(C)C)CC4)c23)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.51
AAK1 Q2M2I8 3/20 0.50
NSD2 O96028 1/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
AKT1 P31749 1/20 0.37
KCNA3 P22001 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
SCHEMBL9898208 0.89 AAK1 (0.48) BTKAAK1KDR
SCHEMBL9897094 0.88 AAK1 (0.51) BTKAAK1KDR
SCHEMBL13471641 0.87 BTK (0.53) BTKAAK1JAK3
SCHEMBL9898224 0.86 AAK1 (0.56) BTKAAK1KDR
SCHEMBL9897164 0.86 AAK1 (0.50) BTKAAK1
SCHEMBL9898642 0.86 AAK1 (0.48) BTKAAK1JAK3KCNA3
SCHEMBL9899394 0.85 AAK1 (0.48) BTKAAK1JAK3KCNA3
SCHEMBL9943131 0.85 AAK1 (0.48) BTKAAK1
SCHEMBL9897577 0.85 AAK1 (0.52) BTKAAK1JAK3KCNA3
SCHEMBL9898368 0.84 AAK1 (0.48) BTKAAK1KCNA3

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 BTK 50/4885AAK1 709/4885NSD2 2622/4885

“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.