SCHEMBL4764488

SCHEMBL4764488

COc1ccc(Nc2ncnc3[nH]c(-c4ccc(C(C)(C)N)cc4)cc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PIP4K2A P48426 2/20 0.45
PIK3CG P48736 1/20 0.45
RET P07949 4/20 0.45
KIT P10721 4/20 0.42
EGFR P00533 3/20 0.42
RIPK2 O43353 1/20 0.42
BRAF P15056 5/20 0.42
TNNI3K Q59H18 5/20 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
SCHEMBL4769668 0.86 BRAF (0.46) RETKITEGFRBRAFTNNI3K
SCHEMBL4764347 0.83 EGFR (0.52) KITEGFR
SCHEMBL4764504 0.82 RET (0.49) PIP4K2APIK3CGRETKITEGFR
SCHEMBL4770678 0.80 KDR (0.59) PIK3CAPIK3CGRETKITEGFR
SCHEMBL4764512 0.80 PIK3CA (0.51) PIK3CAPIK3CGRETKITEGFR
SCHEMBL4764299 0.79 CSF1R (0.61) PIK3CAMTORPIK3CGRETKIT
SCHEMBL4767075 0.75 EGFR (0.50) KITEGFR
SCHEMBL4808315 0.72 PRMT5 (0.53) KITEGFR
SCHEMBL4770592 0.71 RET (0.48) RETKITEGFRBRAFTNNI3K
SCHEMBL4768505 0.71 EGFR (0.54) RETKITEGFR

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 PIK3CA 279/4885MTOR 791/4885PIP4K2A 881/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS PIK3CA 235/4885MTOR 1074/4885PIP4K2A 906/4885

“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.