SCHEMBL4769248

SCHEMBL4769248

CN1CCN(CC(=O)NCc2cccc(-c3cc4c(Nc5ccc(F)c(Cl)c5)ncnc4[nH]3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.56
ERBB2 P04626 6/20 0.51
ERBB4 Q15303 2/20 0.47
JAK3 P52333 1/20 0.47
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
KDR P35968 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42

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
SCHEMBL4763823 0.93 EGFR (0.49) EGFRERBB2ERBB4JAK3AURKA
SCHEMBL4766613 0.92 EGFR (0.58) EGFRERBB2ERBB4JAK3KDR
SCHEMBL4767157 0.88 AXL (0.52) EGFRERBB2ERBB4JAK3KDR
SCHEMBL4774248 0.86 AURKA (0.51) EGFRAURKARPS6KB1IKBKBCHUK
SCHEMBL4764654 0.86 EGFR (0.51) EGFRERBB2ERBB4KDR
SCHEMBL4764403 0.85 CHUK (0.50) EGFRERBB2ERBB4AURKARPS6KB1
SCHEMBL4764252 0.84 EGFR (0.51) EGFRERBB2ERBB4JAK3
SCHEMBL5418500 0.84 EGFR (0.48) EGFRERBB2AURKARPS6KB1KDR
SCHEMBL4764123 0.83 EGFR (0.52) EGFRERBB2ERBB4JAK3
SCHEMBL4765712 0.81 EGFR (0.55) EGFRERBB2ERBB4AURKARPS6KB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 CN claimed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP claimed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 US claimed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 US claimed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 US claimed
CN-1538847-A 4-amino-6-phenyl-pyrrolo [2, 3-d ] pyrimidine derivatives ��˹��ŵ�� 2004-10-20 CN claimed
CN-101560214-B 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG 2011-05-25 CN disclosed
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 CN disclosed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP disclosed
CN-1538847-A 4-amino-6-phenyl-pyrrolo [2, 3-d ] pyrimidine derivatives ��˹��ŵ�� 2004-10-20 CN 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 (2 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-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP EGFR 3391/4885ERBB2 2012/4885ERBB4 3464/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885ERBB2 1341/4885ERBB4 1563/4885

“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.