SCHEMBL3984446

SCHEMBL3984446

CNC(=O)c1nn(Cc2ccc(F)c(Cl)c2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
FSCN1 Q16658 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.33
CNR2 P34972 1/20 0.33
P2RX7 Q99572 4/20 0.33
AVPR1B P47901 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
MME P08473 1/20 0.33
PDPK1 O15530 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL3987210 0.93 PDE4A (0.38) PTGER4FSCN1PDE4APDE4BPDE4C
SCHEMBL3987232 0.91 PTGER4 (0.35) PTGER4FSCN1CNR2P2RX7AVPR1B
SCHEMBL3991044 0.91 PTGER4 (0.36) PTGER4FSCN1CNR2PDPK1
SCHEMBL3985290 0.91 CNR2 (0.40) PTGER4FSCN1PDE4APDE4BPDE4C
SCHEMBL3988126 0.90 PTGER4 (0.34) PTGER4FSCN1CNR2P2RX7AVPR1B
SCHEMBL3985873 0.90 PTGER4 (0.36) PTGER4FSCN1PDE4APDE4BPDE4C
SCHEMBL3986816 0.90 MEN1 (0.42) PTGER4FSCN1PDE4APDE4BPDE4C
SCHEMBL3982488 0.89 PTGER4 (0.33) PTGER4FSCN1CNR2P2RX7AVPR1B
SCHEMBL3985759 0.89 POLB (0.36) PTGER4FSCN1POLBCNR2PDPK1
SCHEMBL3985220 0.87 PARP1 (0.41) P2RX7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PTGER4 2608/4885FSCN1 4865/4885PDE4A 447/4885

“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.