SCHEMBL3986897

SCHEMBL3986897

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
FSCN1 Q16658 1/20 0.32
SLC6A9 P48067 2/20 0.32
KCNH2 Q12809 2/20 0.32
PDPK1 O15530 3/20 0.31
CYP2C9 P11712 1/20 0.31
PPARG P37231 1/20 0.31
MAOB P27338 1/20 0.31
PIK3CA P42336 1/20 0.31
AVPR1B P47901 2/20 0.31
P2RX7 Q99572 2/20 0.30
P4HB P07237 1/20 0.30

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
SCHEMBL3982488 0.93 PTGER4 (0.33) PTGER4FSCN1SLC6A9KCNH2CYP2C9
SCHEMBL3991772 0.90 AVPR1B (0.33) PTGER4FSCN1SLC6A9KCNH2MAOB
SCHEMBL3987232 0.89 PTGER4 (0.35) PTGER4FSCN1CYP2C9PPARGMAOB
SCHEMBL3988126 0.88 PTGER4 (0.34) PTGER4FSCN1CYP2C9PPARGMAOB
SCHEMBL3987210 0.87 PDE4A (0.38) PTGER4FSCN1PDPK1
SCHEMBL3984446 0.86 PTGER4 (0.37) PTGER4FSCN1PDPK1PIK3CAAVPR1B
SCHEMBL3982265 0.85 PARP1 (0.36) PIK3CA
SCHEMBL3985369 0.85 LMNA (0.36) AVPR1BP2RX7
SCHEMBL3985759 0.85 POLB (0.36) PTGER4FSCN1PDPK1
SCHEMBL3983968 0.84 PIK3CD (0.39) PIK3CAAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP claimed
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

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 4865/4885SLC6A9 4571/4885

“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.