SCHEMBL9928320

SCHEMBL9928320

C#Cc1cccc(Nc2ncnc3[nH]cc(CN4CCC(C)(N)CC4)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.48
ERBB2 P04626 3/20 0.48
BRAF P15056 4/20 0.43
TNNI3K Q59H18 4/20 0.43
KDR P35968 2/20 0.41
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
FBP1 P09467 2/20 0.41
GAK O14976 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
ERBB4 Q15303 2/20 0.40
AURKA O14965 2/20 0.39
PLK4 O00444 1/20 0.39
CIT O14578 1/20 0.39
EPHB6 O15197 1/20 0.39
SLC22A1 O15245 1/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL9928297 0.94 EGFR (0.49) EGFRERBB2BRAFTNNI3KKDR
SCHEMBL9897735 0.88 EGFR (0.49) EGFRERBB2BRAFTNNI3KKDR
SCHEMBL9928288 0.86 EGFR (0.55) EGFRERBB2BRAFTNNI3KKDR
SCHEMBL9943144 0.86 BRAF (0.45) EGFRERBB2BRAFTNNI3KSTK4
SCHEMBL9928317 0.86 EGFR (0.51) EGFRERBB2BRAFTNNI3KKDR
SCHEMBL9897215 0.85 EGFR (0.49) EGFRERBB2BRAFTNNI3KKDR
SCHEMBL9904053 0.85 EGFR (0.65) EGFRERBB2KDRAAK1
SCHEMBL9898681 0.85 EGFR (0.53) EGFRERBB2BRAFTNNI3KKDR
SCHEMBL9928318 0.85 EGFR (0.48) EGFRBRAFTNNI3KKDRSTK4
SCHEMBL9895699 0.84 EGFR (0.41) EGFRERBB2BRAFTNNI3KFBP1

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
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 2/4885ERBB2 1/4885BRAF 131/4885

“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.