SCHEMBL9928318

SCHEMBL9928318

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.48
BRAF P15056 2/20 0.46
TNNI3K Q59H18 2/20 0.46
MKNK1 Q9BUB5 3/20 0.45
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
ABL1 P00519 3/20 0.43
TNK2 Q07912 2/20 0.43
DYRK1A Q13627 2/20 0.43
SRC P12931 2/20 0.43
PRKCA P17252 2/20 0.43
CIT O14578 1/20 0.43
CHEK1 O14757 1/20 0.43
GAK O14976 1/20 0.43
STK10 O94804 1/20 0.43
PRKD3 O94806 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL9928296 0.94 EGFR (0.52) EGFRBRAFTNNI3KMKNK1NPC1
SCHEMBL9898236 0.89 TTBK1 (0.44) EGFRBRAFTNNI3KNPC1LMNA
SCHEMBL9943144 0.87 BRAF (0.45) EGFRBRAFTNNI3KSTK4STK3
SCHEMBL9928317 0.87 EGFR (0.51) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL9928320 0.85 EGFR (0.48) EGFRBRAFTNNI3KMKNK1LMNA
SCHEMBL9897723 0.84 MKNK1 (0.46) EGFRBRAFTNNI3KMKNK1NPC1
SCHEMBL9943097 0.82 EGFR (0.43) EGFRBRAFTNNI3KHTTSMN1; SMN2
SCHEMBL9928264 0.81 STK4 (0.46) EGFRBRAFTNNI3KMKNK1LMNA
SCHEMBL9928295 0.80 EGFR (0.52) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL9943138 0.80 BRAF (0.40) EGFRBRAFTNNI3KROCK1

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 EGFR 2/4885BRAF 131/4885TNNI3K 372/4885

“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.