Sugi Predict

Sugi Predict / Compounds / SCHEMBL4772881

SCHEMBL4772881

SCHEMBL4772881

C[C@@H](Nc1ncnc2[nH]c(-c3cccc(CNC(=O)CCl)c3)cc12)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.66
▸ KDR P35968 9/20 0.62
▸ ERBB2 P04626 8/20 0.62
▸ HDAC3 O15379 5/20 0.61
▸ HDAC4 P56524 5/20 0.61
▸ HDAC1 Q13547 5/20 0.61
▸ HDAC7 Q8WUI4 5/20 0.61
▸ HDAC2 Q92769 5/20 0.61
▸ HDAC10 Q969S8 5/20 0.61
▸ HDAC11 Q96DB2 5/20 0.61
▸ HDAC8 Q9BY41 5/20 0.61
▸ HDAC6 Q9UBN7 5/20 0.61
▸ HDAC9 Q9UKV0 5/20 0.61
▸ HDAC5 Q9UQL6 5/20 0.61
▸ CSF1R P07333 1/20 0.61

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
SCHEMBL6712869 0.91 KDR (0.74) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4768455 0.91 KDR (0.74) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4769433 0.90 EGFR (0.64) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL27603044 0.90 EGFR (0.64) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4772771 0.86 EGFR (0.76) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL5437779 0.86 EGFR (0.76) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4791793 0.85 KDR (0.60) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4769180 0.85 KDR (0.60) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4764025 0.84 EGFR (0.81) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL27603008 0.81 EGFR (0.71) EGFRKDRERBB2HDAC3HDAC4

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 7 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 disclosed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 — — EP disclosed
US-7323469-B2 7H-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-01-29 — — US disclosed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 — — US disclosed
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES BOLD GUIDO 2007-07-12 — — US disclosed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 — — US disclosed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 — — US 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 1650/4885KDR 1868/4885ERBB2 539/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP EGFR 3391/4885KDR 3031/4885ERBB2 2012/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885KDR 2234/4885ERBB2 1341/4885

“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.