SCHEMBL4768562

SCHEMBL4768562

COc1ccc(Nc2ncnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)cc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.49
KIF5B P33176 3/20 0.49
KDR P35968 3/20 0.49
CSF1R P07333 7/20 0.48
BRAF P15056 6/20 0.47
RAF1 P04049 2/20 0.47
CHUK O15111 1/20 0.47
INSR P06213 1/20 0.47
MAPK8 P45983 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
TNNI3K Q59H18 3/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
INCENP Q9NQS7 2/20 0.43
TPX2 Q9ULW0 2/20 0.43
EGFR P00533 1/20 0.42
SLC2A1 P11166 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
SCHEMBL4767215 0.90 RET (0.52) RETKIF5BKDRCSF1RBRAF
SCHEMBL4768902 0.89 CSF1R (0.51) CSF1RBRAFCHUKINSRMAPK8
SCHEMBL5565132 0.86 RET (0.55) RETKIF5BKDRBRAFRAF1
SCHEMBL4766263 0.85 KDR (0.46) RETKIF5BKDRBRAFRAF1
SCHEMBL8259330 0.85 RET (0.58) RETKIF5BKDRBRAFRAF1
SCHEMBL4766845 0.81 RET (0.54) RETKIF5BKDRCSF1RBRAF
SCHEMBL4772569 0.80 EGFR (0.50) KDRCSF1RBRAFCHUKINSR
SCHEMBL4770875 0.78 CSF1R (0.52) RETKIF5BKDRCSF1RBRAF
SCHEMBL4767297 0.77 KDR (0.49) RETKIF5BKDRCSF1RBRAF
SCHEMBL4771139 0.74 BRAF (0.45) RETKDRCSF1RBRAFTNNI3K

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 RET 2696/4885KIF5B 3135/4885KDR 3031/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS RET 2836/4885KIF5B 3982/4885KDR 2234/4885

“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.