SCHEMBL4806775

SCHEMBL4806775

CN(C)CCCNCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
FSCN1 Q16658 1/20 0.37
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
HDAC1 Q13547 3/20 0.36
CHEK1 O14757 2/20 0.36
DNM2 P50570 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 4/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL4800237 0.95 MEN1 (0.40) KDM4EHTTFSCN1NMT2NMT1
SCHEMBL13986893 0.93 KDM4E (0.36) KDM4EHTTFSCN1NMT2NMT1
SCHEMBL4801984 0.90 HDAC1 (0.37) FSCN1HDAC1CHEK1MEN1KMT2A
SCHEMBL4805424 0.86 FSCN1 (0.38) FSCN1HDAC1CHEK1KMT2AHDAC6
SCHEMBL2943310 0.86 HDAC1 (0.44) FSCN1HDAC1HDAC7HDAC10HDAC8
SCHEMBL4804946 0.85 MEN1 (0.43) KDM4EFSCN1HDAC1MEN1KMT2A
SCHEMBL4806355 0.85 CHEK1 (0.46) KDM4EFSCN1HDAC1CHEK1KMT2A
SCHEMBL4805987 0.85 FSCN1 (0.35) FSCN1HDAC1HDAC7HDAC6MET
SCHEMBL4806764 0.85 CHEK1 (0.36) FSCN1HDAC1CHEK1MEN1KMT2A
SCHEMBL4807596 0.84 PPARG (0.38) FSCN1HDAC1HDAC7HDAC6MET

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 7 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-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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 (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 KDM4E 821/4885HTT 4142/4885FSCN1 4841/4885

“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.