SCHEMBL4764252

SCHEMBL4764252

O=C(CN1CCCCC1)NCc1ccc(-c2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.51
HPGD P15428 1/20 0.48
KIT P10721 4/20 0.48
ERBB2 P04626 3/20 0.47
ERBB4 Q15303 2/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL5418500 0.93 EGFR (0.48) EGFRKITERBB2
SCHEMBL4766613 0.92 EGFR (0.58) EGFRKITERBB2ERBB4JAK3
SCHEMBL4769443 0.92 EGFR (0.54) EGFRKITERBB2ERBB4JAK3
SCHEMBL4764654 0.92 EGFR (0.51) EGFRKITERBB2ERBB4
SCHEMBL4764123 0.92 EGFR (0.52) EGFRKITERBB2ERBB4JAK3
SCHEMBL4763823 0.92 EGFR (0.49) EGFRHPGDERBB2ERBB4JAK3
SCHEMBL4764461 0.87 EGFR (0.52) EGFRKITERBB2
SCHEMBL4764459 0.87 EGFR (0.59) EGFRERBB2ERBB4JAK3
SCHEMBL4769176 0.86 EGFR (0.58) EGFRERBB2ERBB4JAK3
SCHEMBL4769248 0.84 EGFR (0.56) EGFRERBB2ERBB4JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP 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 3391/4885HPGD 25/4885KIT 1664/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885HPGD 164/4885KIT 2016/4885

“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.