SCHEMBL4809899

SCHEMBL4809899

O=C(NO)c1cc2c(CNCCc3ccccn3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 3/20 0.39
HASPIN Q8TF76 1/20 0.37
GRM4 Q14833 1/20 0.37
CHEK1 O14757 2/20 0.36
FSCN1 Q16658 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
P2RX7 Q99572 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
NTRK1 P04629 1/20 0.35
PPARG P37231 1/20 0.35
MME P08473 1/20 0.35
ECE1 P42892 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
SCHEMBL4799272 0.93 KMT2A (0.42) KDM4EMEN1KMT2AHDAC1HASPIN
SCHEMBL4806355 0.88 CHEK1 (0.46) KDM4EKMT2AHDAC1HASPINCHEK1
SCHEMBL4801984 0.86 HDAC1 (0.37) MEN1KMT2AHDAC1CHEK1FSCN1
SCHEMBL4804663 0.85 GNRHR (0.43) KDM4EKMT2A
SCHEMBL4804335 0.84 HDAC1 (0.55) KMT2ALMNARAB9AHDAC1HDAC3
SCHEMBL4800237 0.83 MEN1 (0.40) KDM4EMEN1KMT2AHDAC1HASPIN
SCHEMBL4800089 0.83 HASPIN (0.41) HDAC1HASPINCHEK1FSCN1HDAC3
SCHEMBL4805408 0.83 KDM4E (0.39) KDM4EHDAC1FSCN1HDAC3HDAC2
SCHEMBL4804348 0.83 HDAC1 (0.36) HDAC1HASPINCHEK1FSCN1HDAC3
SCHEMBL4804475 0.82 HDAC6 (0.37) MEN1KMT2AHDAC1FSCN1HDAC3

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
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
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 821/4885MEN1 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.