SCHEMBL4806764

SCHEMBL4806764

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.34
HDAC1 Q13547 5/20 0.34
FSCN1 Q16658 1/20 0.34
HDAC6 Q9UBN7 5/20 0.33
HDAC4 P56524 1/20 0.33
PPARG P37231 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
P2RX7 Q99572 1/20 0.33
MET P08581 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL4801984 0.91 HDAC1 (0.37) CHEK1MEN1KMT2ANTRK1HDAC1
SCHEMBL4806355 0.85 CHEK1 (0.46) CHEK1KMT2AHDAC1FSCN1PPARG
SCHEMBL4806775 0.85 KDM4E (0.41) CHEK1MEN1KMT2AHDAC1FSCN1
SCHEMBL4800237 0.85 MEN1 (0.40) CHEK1MEN1KMT2AHDAC1FSCN1
SCHEMBL4805424 0.85 FSCN1 (0.38) CHEK1KMT2AHDAC1FSCN1HDAC6
SCHEMBL4800089 0.84 HASPIN (0.41) CHEK1HDAC1FSCN1HDAC6HDAC4
SCHEMBL4805408 0.84 KDM4E (0.39) HDAC1FSCN1HDAC6HDAC3HDAC2
SCHEMBL4932344 0.84 HDAC6 (0.42) MEN1KMT2ANTRK1HDAC1FSCN1
SCHEMBL2949469 0.84 FSCN1 (0.42) NTRK1HDAC1FSCN1HDAC6HDAC4
SCHEMBL4804475 0.84 HDAC6 (0.37) MEN1KMT2ANTRK1HDAC1FSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US 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 3066/4885MEN1 4787/4885KMT2A 1367/4885

“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.