SCHEMBL4765896

SCHEMBL4765896

C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CNC(=O)CCN4CCCCC4)cc3)cc12)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.74
HDAC3 O15379 11/20 0.68
HDAC4 P56524 11/20 0.68
HDAC1 Q13547 11/20 0.68
HDAC7 Q8WUI4 11/20 0.68
HDAC2 Q92769 11/20 0.68
HDAC10 Q969S8 11/20 0.68
HDAC11 Q96DB2 11/20 0.68
HDAC8 Q9BY41 11/20 0.68
HDAC6 Q9UBN7 11/20 0.68
HDAC9 Q9UKV0 11/20 0.68
HDAC5 Q9UQL6 11/20 0.68
ERBB2 P04626 11/20 0.67
EGFR P00533 7/20 0.67
CSF1R P07333 1/20 0.62
STK10 O94804 1/20 0.62
MAP4K4 O95819 1/20 0.62
ABL1 P00519 1/20 0.62
YES1 P07947 1/20 0.62
RET P07949 1/20 0.62

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
SCHEMBL4769163 0.92 ERBB2 (0.69) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4769397 0.91 ERBB2 (0.70) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4769383 0.87 KDR (0.68) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL27585231 0.87 KDR (0.68) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4893691 0.85 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4893676 0.85 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4766427 0.85 KDR (0.75) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL27585234 0.85 KDR (0.75) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4764167 0.84 ERBB2 (0.67) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6712869 0.84 KDR (0.74) KDRHDAC3HDAC4HDAC1HDAC7

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 9 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
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US 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-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 KDR 1868/4885HDAC3 3842/4885HDAC4 3260/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP KDR 3031/4885HDAC3 3290/4885HDAC4 3865/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS KDR 2234/4885HDAC3 4074/4885HDAC4 3354/4885

“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.