SCHEMBL3986816

SCHEMBL3986816

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)NCC(F)(F)F)c32)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER4 P35408 1/20 0.36
FSCN1 Q16658 1/20 0.34
CNR2 P34972 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
RORC P51449 3/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
CXCR3 P49682 1/20 0.32
PDPK1 O15530 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PTGES O14684 1/20 0.31
AVPR1B P47901 3/20 0.31
LIPG Q9Y5X9 1/20 0.31

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 0.92 PDE4A (0.38) PTGER4FSCN1CNR2PTGDR2PDPK1
SCHEMBL3991044 0.90 PTGER4 (0.36) MEN1KMT2APTGER4FSCN1CNR2
SCHEMBL3984446 0.90 PTGER4 (0.37) PTGER4FSCN1CNR2PTGDR2PDPK1
SCHEMBL3985873 0.89 PTGER4 (0.36) MEN1KMT2APTGER4FSCN1CNR2
SCHEMBL3985759 0.88 POLB (0.36) KMT2APTGER4FSCN1CNR2PDPK1
SCHEMBL3987232 0.87 PTGER4 (0.35) PTGER4FSCN1CNR2AVPR1B
SCHEMBL3985290 0.87 CNR2 (0.40) PTGER4FSCN1CNR2PDE4APDE4B
SCHEMBL3984637 0.87 ALDH1A1 (0.36) PTGER4FSCN1CNR2PDPK1LIPG
SCHEMBL3988126 0.86 PTGER4 (0.34) PTGER4FSCN1CNR2AVPR1B
SCHEMBL3982488 0.85 PTGER4 (0.33) PTGER4FSCN1CNR2AVPR1B

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 3 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

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 MEN1 4592/4885KMT2A 1226/4885PTGER4 2608/4885

“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.