SCHEMBL9928296

SCHEMBL9928296

COc1cccc(Nc2ncnc3[nH]cc(CN4CCC(C)(C)CC4)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.52
MKNK1 Q9BUB5 3/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BRAF P15056 2/20 0.45
TNNI3K Q59H18 2/20 0.45
ABL1 P00519 3/20 0.44
SRC P12931 3/20 0.44
TNK2 Q07912 2/20 0.44
DYRK1A Q13627 2/20 0.44
PRKCA P17252 2/20 0.44
RET P07949 2/20 0.44
CIT O14578 1/20 0.44
CHEK1 O14757 1/20 0.44
GAK O14976 1/20 0.44
STK10 O94804 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL9928318 0.94 EGFR (0.48) EGFRMKNK1NPC1LMNAHTT
SCHEMBL9928295 0.87 EGFR (0.52) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL9897723 0.85 MKNK1 (0.46) EGFRMKNK1NPC1LMNAHTT
SCHEMBL9928297 0.84 EGFR (0.49) EGFRMKNK1LMNABRAFTNNI3K
SCHEMBL9898236 0.82 TTBK1 (0.44) EGFRNPC1LMNAHTTRAB9A
SCHEMBL9928304 0.81 DRD4 (0.43) MKNK1NPC1LMNARAB9ABRAF
SCHEMBL9928299 0.80 EGFR (0.48) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL9928317 0.80 EGFR (0.51) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL9943144 0.80 BRAF (0.45) EGFRBRAFTNNI3KSTK4STK3
SCHEMBL9928298 0.79 BRAF (0.36) EGFRBRAFTNNI3KPRKACAAAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885MKNK1 1537/4885NPC1 1738/4885

“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.