SCHEMBL9898573

SCHEMBL9898573

C[C@H]1CN(Cc2c[nH]c3ncnc(Nc4ccc(Cl)cc4)c23)CC[C@@H]1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.38
ERBB2 P04626 8/20 0.38
TTBK1 Q5TCY1 2/20 0.38
TTBK2 Q6IQ55 2/20 0.38
CDC7 O00311 1/20 0.38
ALK Q9UM73 1/20 0.38
LCK P06239 2/20 0.37
KDR P35968 1/20 0.37
MKNK1 Q9BUB5 3/20 0.37
BRAF P15056 1/20 0.37
TNNI3K Q59H18 1/20 0.37
CIT O14578 1/20 0.36
CHEK1 O14757 1/20 0.36
GAK O14976 1/20 0.36
STK10 O94804 1/20 0.36
PRKD3 O94806 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
YES1 P07947 1/20 0.36
LYN P07948 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
SCHEMBL9898576 1.00 EGFR (0.38) EGFRERBB2TTBK1TTBK2CDC7
SCHEMBL9898572 1.00 EGFR (0.38) EGFRERBB2TTBK1TTBK2CDC7
SCHEMBL9928305 0.92 TTBK1 (0.39) EGFRERBB2TTBK1TTBK2CDC7
SCHEMBL9928262 0.91 EGFR (0.47) EGFRERBB2TTBK1TTBK2CDC7
SCHEMBL9943094 0.91 EGFR (0.47) EGFRERBB2TTBK1TTBK2CDC7
SCHEMBL9900273 0.82 BTK (0.42) EGFRMKNK1SRCAAK1JAK3
SCHEMBL9900265 0.82 BTK (0.42) EGFRMKNK1SRCAAK1JAK3
SCHEMBL9900267 0.82 BTK (0.42) EGFRMKNK1SRCAAK1JAK3
SCHEMBL9928304 0.79 DRD4 (0.43) TTBK1TTBK2CDC7ALKMKNK1
SCHEMBL9898652 0.79 EGFR (0.51) EGFRERBB2LCKKDRCIT

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 2/4885ERBB2 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.