SCHEMBL4806355

SCHEMBL4806355

O=C(NO)c1cc2c(CNCCc3ccc(F)cc3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
HASPIN Q8TF76 1/20 0.43
HDAC1 Q13547 4/20 0.42
PPARG P37231 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC7 Q8WUI4 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FSCN1 Q16658 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL4800089 0.92 HASPIN (0.41) CHEK1HASPINHDAC1PPARGHDAC7
SCHEMBL4801984 0.90 HDAC1 (0.37) CHEK1HDAC1PPARGKMT2AHDAC7
SCHEMBL4809899 0.88 KDM4E (0.40) CHEK1HASPINHDAC1PPARGKMT2A
SCHEMBL4800237 0.87 MEN1 (0.40) CHEK1HASPINHDAC1PPARGKMT2A
SCHEMBL4805408 0.86 KDM4E (0.39) HDAC1KDM4EFSCN1
SCHEMBL4804348 0.86 HDAC1 (0.36) CHEK1HASPINHDAC1PPARGHDAC7
SCHEMBL4804475 0.86 HDAC6 (0.37) HDAC1PPARGKMT2AHDAC7FSCN1
SCHEMBL4806775 0.85 KDM4E (0.41) CHEK1HDAC1KMT2AHDAC7KDM4E
SCHEMBL4806764 0.85 CHEK1 (0.36) CHEK1HDAC1PPARGKMT2AHDAC7
SCHEMBL4807596 0.85 PPARG (0.38) HDAC1PPARGHDAC7FSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO 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 (1 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP CHEK1 3066/4885HASPIN 2108/4885HDAC1 626/4885

“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.