SCHEMBL3985480

SCHEMBL3985480

Cc1nn(Cc2ccc(F)c(F)c2F)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
PKLR P30613 2/20 0.36
P2RX7 Q99572 8/20 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
SCHEMBL3991515 0.91 PKM (0.38) PKMPKLRP2RX7
SCHEMBL16253845 0.89 P2RX7 (0.37) PKMPKLRP2RX7
SCHEMBL3985526 0.88 PKM (0.38) PKMPKLR
SCHEMBL3985464 0.87 PKM (0.46) PKMPKLRP2RX7
SCHEMBL3985346 0.85 PKM (0.36) PKMPKLRP2RX7
SCHEMBL3983532 0.83 PKM (0.44) PKMPKLR
SCHEMBL3986669 0.83 TSHR (0.38) PKMPKLRP2RX7
SCHEMBL4274489 0.82 MEN1 (0.35) PKMPKLRP2RX7
SCHEMBL3986662 0.82 GAA (0.38) PKMPKLR
SCHEMBL3985863 0.81 PKM (0.35) PKMPKLR

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-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
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PKM 1268/4885PKLR 519/4885P2RX7 1602/4885

“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.