SCHEMBL9928301

SCHEMBL9928301

CCC1CCN(Cc2c[nH]c3ncnc(Nc4cccc(Br)c4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.51
ERBB2 P04626 2/20 0.51
ABL1 P00519 2/20 0.46
ABL2 P42684 2/20 0.46
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
BRAF P15056 2/20 0.42
TNNI3K Q59H18 2/20 0.42
LIMK2 P53671 1/20 0.42
KDR P35968 1/20 0.40

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
SCHEMBL9928291 0.91 EGFR (0.53) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9903974 0.90 EGFR (0.64) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9943135 0.89 EGFR (0.51) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9928295 0.85 EGFR (0.52) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9928317 0.84 EGFR (0.51) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9897404 0.83 EGFR (0.51) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9896683 0.83 EGFR (0.46) EGFRERBB2ABL1ABL2AURKB
SCHEMBL9896703 0.83 EGFR (0.51) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9896700 0.83 EGFR (0.51) EGFRERBB2ABL1ABL2AURKA
SCHEMBL9896696 0.83 EGFR (0.51) EGFRERBB2ABL1ABL2AURKA

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 1/4885ABL1 6/4885

“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.