SCHEMBL4805789

SCHEMBL4805789

O=C(NO)c1cc2c(CNCCC3CCOCC3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
GRM4 Q14833 3/20 0.37
CHRM1 P11229 3/20 0.36
NAMPT P43490 1/20 0.36
DDR1 Q08345 1/20 0.35
DDR2 Q16832 1/20 0.35
PDE9A O76083 2/20 0.35
CNR2 P34972 2/20 0.35
P2RX7 Q99572 2/20 0.34
FSCN1 Q16658 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
CNR1 P21554 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 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
SCHEMBL4808337 0.88 LMNA (0.40) DDR1DDR2CNR2P2RX7
SCHEMBL4805012 0.87 P2RX3 (0.41) P2RX3GRM4CHRM1DDR1DDR2
SCHEMBL4801984 0.85 HDAC1 (0.37) P2RX7FSCN1MEN1KMT2A
SCHEMBL4806136 0.85 ACKR3 (0.44) NAMPTFSCN1
SCHEMBL4805408 0.83 KDM4E (0.39) DDR1DDR2P2RX7FSCN1
SCHEMBL4806527 0.83 KMT2A (0.41) NAMPTMEN1KMT2A
SCHEMBL4806355 0.83 CHEK1 (0.46) FSCN1KMT2A
SCHEMBL4809762 0.83 MOK (0.41) DDR1DDR2FSCN1MAPK14
SCHEMBL4800237 0.82 MEN1 (0.40) P2RX7FSCN1MEN1KMT2A
SCHEMBL4800089 0.82 HASPIN (0.41) FSCN1

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 P2RX3 4506/4885GRM4 4779/4885CHRM1 4766/4885

“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.