Sugi Predict

Sugi Predict / Compounds / SCHEMBL4766090

SCHEMBL4766090

SCHEMBL4766090

O=c1cc(CNc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)cc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 7/20 0.65
▸ EGFR P00533 8/20 0.52
▸ KDR P35968 4/20 0.52
▸ ERBB2 P04626 3/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ MAPKAPK2 P49137 2/20 0.51
▸ EPHB4 P54760 2/20 0.46
▸ STK10 O94804 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ ABL1 P00519 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
SCHEMBL4768477 0.90 KDR (0.56) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4766800 0.90 KDR (0.59) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4766796 0.89 CSF1R (0.66) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4769627 0.87 CSF1R (0.63) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4769448 0.84 CSF1R (0.67) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4767245 0.83 CSF1R (0.66) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4769287 0.81 CSF1R (0.63) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4763826 0.81 CSF1R (0.63) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4764148 0.80 CSF1R (0.67) CSF1REGFRKDRERBB2HDAC3
SCHEMBL4766414 0.80 CSF1R (0.64) CSF1REGFRKDRERBB2HDAC3

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 CSF1R 4089/4885EGFR 1650/4885KDR 1868/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP CSF1R 3024/4885EGFR 3391/4885KDR 3031/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS CSF1R 3516/4885EGFR 2694/4885KDR 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.