SCHEMBL9928319

SCHEMBL9928319

CC1(N)CCN(Cc2c[nH]c3ncnc(Nc4ccc5occc5c4)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
STK4 Q13043 2/20 0.41
STK3 Q13188 2/20 0.41
ERBB2 P04626 3/20 0.40
EGFR P00533 2/20 0.40
BRAF P15056 7/20 0.38
TNNI3K Q59H18 7/20 0.38
PRKD1 Q15139 1/20 0.35
CDC7 O00311 1/20 0.34
ALK Q9UM73 1/20 0.34
KDR P35968 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33

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
SCHEMBL9928298 0.94 BRAF (0.36) TTBK1TTBK2STK4STK3ERBB2
SCHEMBL9928300 0.89 KDR (0.34) TTBK1TTBK2STK4STK3ERBB2
SCHEMBL9928322 0.89 KDR (0.34) TTBK1TTBK2STK4STK3ERBB2
SCHEMBL9928279 0.86 LRRK2 (0.39) ERBB2EGFRBRAFTNNI3KPRKD1
SCHEMBL9928260 0.85 EGFR (0.44) ERBB2EGFRKDR
SCHEMBL9899033 0.84 AAK1 (0.35) TTBK1TTBK2ERBB2EGFRBRAF
SCHEMBL9943097 0.83 EGFR (0.43) TTBK1TTBK2STK4STK3ERBB2
SCHEMBL9928264 0.82 STK4 (0.46) TTBK1TTBK2STK4STK3ERBB2
SCHEMBL9928317 0.81 EGFR (0.51) TTBK1TTBK2STK4STK3ERBB2
SCHEMBL9943144 0.81 BRAF (0.45) TTBK1TTBK2STK4STK3ERBB2

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 TTBK1 417/4885TTBK2 475/4885STK4 91/4885

“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.