SCHEMBL9896683

SCHEMBL9896683

CC(C)(C)OC(=O)NCC1CCN(Cc2c[nH]c3ncnc(Nc4cccc(Br)c4)c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.46
RAF1 P04049 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAP2K1 Q02750 1/20 0.46
AURKB Q96GD4 1/20 0.46
ERBB2 P04626 1/20 0.45
LIMK2 P53671 4/20 0.41
AAK1 Q2M2I8 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
EPHA2 P29317 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
ABL1 P00519 1/20 0.38
ABL2 P42684 1/20 0.38
BTK Q06187 1/20 0.38
LIMK1 P53667 1/20 0.38

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) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL9896681 0.85 EGFR (0.43) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL9898479 0.84 EGFR (0.43) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL9928301 0.83 EGFR (0.51) EGFRKDRAURKBERBB2LIMK2
SCHEMBL9898864 0.82 EGFR (0.42) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL9928291 0.81 EGFR (0.53) EGFRKDRAURKBERBB2LIMK2
SCHEMBL9903974 0.80 EGFR (0.64) EGFRAURKBERBB2AAK1ABL1
SCHEMBL9897164 0.80 AAK1 (0.50) EGFRERBB2AAK1EPHA2BTK
SCHEMBL9897560 0.80 BTK (0.51) KDRAAK1BTK
SCHEMBL9943135 0.80 EGFR (0.51) EGFRKDRAURKBERBB2AAK1

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 EGFR 2/4885RAF1 239/4885KDR 112/4885

“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.