SCHEMBL4767296

SCHEMBL4767296

CC(C)C(N)c1ccc(-c2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.53
GRM1 Q13255 1/20 0.47
RET P07949 1/20 0.47
ERBB2 P04626 2/20 0.47
AURKA O14965 1/20 0.47
INSR P06213 1/20 0.47
FBP1 P09467 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK1 P49759 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 1/20 0.47
ERBB4 Q15303 1/20 0.46

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
SCHEMBL7496670 0.86 EGFR (0.62) EGFRGRM1ERBB2AURKAINSR
SCHEMBL4767298 0.83 EGFR (0.49) EGFRGRM1RETERBB2AURKA
SCHEMBL4764395 0.82 EGFR (0.52) EGFRGRM1RETERBB2AURKA
SCHEMBL4765608 0.82 EGFR (0.52) EGFRGRM1RETERBB2AURKA
SCHEMBL4772678 0.82 EGFR (0.55) EGFRGRM1AURKA
SCHEMBL4765640 0.81 EGFR (0.57) EGFRGRM1RETERBB2AURKA
SCHEMBL5409570 0.81 EGFR (0.56) EGFRGRM1ERBB2AURKAKDR
SCHEMBL4766953 0.81 AURKA (0.57) EGFRGRM1ERBB2AURKA
SCHEMBL4770640 0.80 EGFR (0.49) EGFRGRM1RETERBB2AURKA
SCHEMBL4769176 0.78 EGFR (0.58) EGFRRETERBB2PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US claimed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP claimed
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES BOLD GUIDO 2007-07-12 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 (3 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-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES TYMP, DPYD, CCND2 EGFR 1650/4885GRM1 4356/4885RET 1707/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP EGFR 3391/4885GRM1 4317/4885RET 2696/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885GRM1 3500/4885RET 2836/4885

“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.