SCHEMBL9896515

SCHEMBL9896515

N[C@@H]1CCN(Cc2c[nH]c3ncnc(Nc4ccc5occc5c4)c23)C[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.44
TGFBR1 P36897 3/20 0.44
AAK1 Q2M2I8 3/20 0.44
CHEK1 O14757 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
LYN P07948 2/20 0.44
PRKACA P17612 2/20 0.44
MARK3 P27448 2/20 0.44
PRKCD Q05655 2/20 0.44
ROCK1 Q13464 2/20 0.44
DYRK1A Q13627 2/20 0.44
MARK2 Q7KZI7 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
CIT O14578 1/20 0.44
GAK O14976 1/20 0.44
STK10 O94804 1/20 0.44
PRKD3 O94806 1/20 0.44
ABL1 P00519 1/20 0.44
YES1 P07947 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
SCHEMBL9896506 1.00 EGFR (0.44) EGFRTGFBR1AAK1CHEK1LCK
SCHEMBL9896500 1.00 EGFR (0.44) EGFRTGFBR1AAK1CHEK1LCK
SCHEMBL9928260 0.88 EGFR (0.44) EGFRAAK1LCKERBB2KDR
SCHEMBL13471633 0.87 ROCK2 (0.34) EGFRTGFBR1AAK1CHEK1LCK
SCHEMBL9928279 0.85 LRRK2 (0.39) EGFRAAK1ROCK2ERBB2MET
SCHEMBL9898650 0.82 EGFR (0.51) EGFRTGFBR1AAK1CHEK1LCK
SCHEMBL9898657 0.82 EGFR (0.51) EGFRTGFBR1AAK1CHEK1LCK
SCHEMBL9898652 0.82 EGFR (0.51) EGFRTGFBR1AAK1CHEK1LCK
SCHEMBL9896703 0.82 EGFR (0.51) EGFRTGFBR1AAK1CHEK1LCK
SCHEMBL9896700 0.82 EGFR (0.51) EGFRTGFBR1AAK1CHEK1LCK

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
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

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 2/4885TGFBR1 868/4885AAK1 709/4885

“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.