Sugi Predict

Sugi Predict / Compounds / SCHEMBL4800237

SCHEMBL4800237

SCHEMBL4800237

CN(C)CCNCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ FSCN1 Q16658 1/20 0.37
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ MET P08581 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC7 Q8WUI4 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
SCHEMBL4806775 0.95 KDM4E (0.41) MEN1KMT2ANMT2NMT1FSCN1
SCHEMBL13986893 0.90 KDM4E (0.36) MEN1KMT2ANMT2NMT1FSCN1
SCHEMBL4801984 0.89 HDAC1 (0.37) MEN1KMT2AFSCN1HDAC1HDAC6
SCHEMBL2943310 0.87 HDAC1 (0.44) FSCN1HDAC1HDAC6HDAC10HDAC8
SCHEMBL4806355 0.87 CHEK1 (0.46) KMT2AFSCN1HDAC1KDM4ECHEK1
SCHEMBL4805987 0.87 FSCN1 (0.35) FSCN1HDAC1HDAC6METHDAC4
SCHEMBL4807596 0.86 PPARG (0.38) FSCN1HDAC1HDAC6METHDAC4
SCHEMBL4800089 0.86 HASPIN (0.41) FSCN1HDAC1HDAC6HDAC10HDAC8
SCHEMBL4805408 0.85 KDM4E (0.39) FSCN1HDAC1HDAC6HDAC10HDAC8
SCHEMBL4804946 0.85 MEN1 (0.43) MEN1KMT2AFSCN1HDAC1KDM4E

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
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 — — US claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 — — US 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 MEN1 4787/4885KMT2A 1367/4885NMT2 1785/4885

“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.