SCHEMBL9943097

SCHEMBL9943097

Cc1ccc(Nc2ncnc3[nH]cc(CN4CCC(C)(N)CC4)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.43
ERBB2 P04626 2/20 0.43
TTBK1 Q5TCY1 3/20 0.42
TTBK2 Q6IQ55 3/20 0.42
STK4 Q13043 2/20 0.40
STK3 Q13188 2/20 0.40
CDC7 O00311 2/20 0.39
ALK Q9UM73 1/20 0.39
BRAF P15056 2/20 0.38
TNNI3K Q59H18 2/20 0.38
RAF1 P04049 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 2/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL9928264 0.91 STK4 (0.46) EGFRERBB2TTBK1TTBK2STK4
SCHEMBL9898236 0.89 TTBK1 (0.44) EGFRTTBK1TTBK2STK4STK3
SCHEMBL9928304 0.83 DRD4 (0.43) TTBK1TTBK2STK4STK3CDC7
SCHEMBL9928317 0.83 EGFR (0.51) EGFRERBB2TTBK1TTBK2STK4
SCHEMBL9943144 0.83 BRAF (0.45) EGFRERBB2TTBK1TTBK2STK4
SCHEMBL9928319 0.83 TTBK1 (0.42) EGFRERBB2TTBK1TTBK2STK4
SCHEMBL9928318 0.82 EGFR (0.48) EGFRSTK4STK3BRAFTNNI3K
SCHEMBL9928320 0.81 EGFR (0.48) EGFRERBB2TTBK1TTBK2STK4
SCHEMBL9943094 0.78 EGFR (0.47) EGFRERBB2TTBK1TTBK2STK4
SCHEMBL9928262 0.78 EGFR (0.47) EGFRERBB2TTBK1TTBK2STK4

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 2/4885ERBB2 1/4885TTBK1 417/4885

“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.