Sugi Predict

Sugi Predict / Compounds / SCHEMBL4768477

SCHEMBL4768477

SCHEMBL4768477

CN1CCN(Cc2ccc(-c3cc4c(NCc5cc[nH]c(=O)c5)ncnc4[nH]3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.56
▸ EGFR P00533 8/20 0.56
▸ HDAC3 O15379 6/20 0.56
▸ HDAC4 P56524 6/20 0.56
▸ HDAC1 Q13547 6/20 0.56
▸ HDAC7 Q8WUI4 6/20 0.56
▸ HDAC2 Q92769 6/20 0.56
▸ HDAC10 Q969S8 6/20 0.56
▸ HDAC11 Q96DB2 6/20 0.56
▸ HDAC8 Q9BY41 6/20 0.56
▸ HDAC6 Q9UBN7 6/20 0.56
▸ HDAC9 Q9UKV0 6/20 0.56
▸ HDAC5 Q9UQL6 6/20 0.56
▸ ERBB2 P04626 5/20 0.56
▸ CSF1R P07333 4/20 0.51
▸ STK10 O94804 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ YES1 P07947 1/20 0.50
▸ RET P07949 1/20 0.50

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
SCHEMBL4766800 0.93 KDR (0.59) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4766090 0.90 CSF1R (0.65) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4766925 0.87 KDR (0.51) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4766798 0.84 EGFR (0.59) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4764771 0.84 EGFR (0.59) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4790179 0.82 EGFR (0.53) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4764782 0.82 EGFR (0.57) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4815308 0.82 EGFR (0.53) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4815301 0.82 EGFR (0.51) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4769526 0.81 KDR (0.59) KDREGFRHDAC3HDAC4HDAC1

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 KDR 1868/4885EGFR 1650/4885HDAC3 3842/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP KDR 3031/4885EGFR 3391/4885HDAC3 3290/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS KDR 2234/4885EGFR 2694/4885HDAC3 4074/4885

“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.