Sugi Predict

Sugi Predict / Compounds / SCHEMBL4804348

SCHEMBL4804348

SCHEMBL4804348

Cc1nnc(CCNCc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.36
▸ CHEK1 O14757 3/20 0.36
▸ HASPIN Q8TF76 1/20 0.34
▸ FSCN1 Q16658 1/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ MET P08581 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KLKB1 P03952 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC10 Q969S8 1/20 0.31

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
SCHEMBL4806355 0.86 CHEK1 (0.46) HDAC1CHEK1HASPINFSCN1HDAC7
SCHEMBL4801984 0.85 HDAC1 (0.37) HDAC1CHEK1FSCN1HDAC6HDAC3
SCHEMBL4800237 0.84 MEN1 (0.40) HDAC1CHEK1HASPINFSCN1HDAC6
SCHEMBL4809899 0.83 KDM4E (0.40) HDAC1CHEK1HASPINFSCN1HDAC6
SCHEMBL4806775 0.82 KDM4E (0.41) HDAC1CHEK1FSCN1HDAC6HDAC8
SCHEMBL4807596 0.82 PPARG (0.38) HDAC1FSCN1HDAC6HDAC3HDAC2
SCHEMBL4800089 0.82 HASPIN (0.41) HDAC1CHEK1HASPINFSCN1HDAC6
SCHEMBL4804335 0.81 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL4805408 0.81 KDM4E (0.39) HDAC1FSCN1HDAC6HDAC3HDAC2
SCHEMBL2943245 0.81 FSCN1 (0.42) HDAC1FSCN1HDAC6HDAC3HDAC2

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 HDAC1 626/4885CHEK1 3066/4885HASPIN 2108/4885

“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.