SCHEMBL3986704

SCHEMBL3986704

CCN(CC)C(=O)Sc1nn(Cc2ccc(F)c(Cl)c2)c(=O)c2c(OC)c3n(c12)CCN(C)C3=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.33
FSCN1 Q16658 1/20 0.32
PDPK1 O15530 1/20 0.31
PTGER4 P35408 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
SCHEMBL3990684 0.93 P2RX7 (0.34) P2RX7FSCN1PTGER4
SCHEMBL3986695 0.91 PTGER4 (0.32) P2RX7FSCN1PTGER4
SCHEMBL3992391 0.83 P2RX7 (0.36) P2RX7
SCHEMBL3989610 0.83 P2RX7 (0.36) P2RX7FSCN1
SCHEMBL3991527 0.82 P2RX7 (0.36) P2RX7
SCHEMBL3987286 0.81 P2RX7 (0.36) P2RX7
SCHEMBL3989025 0.81 P2RX7 (0.36) P2RX7
SCHEMBL3985749 0.79 P2RX7 (0.35) P2RX7
SCHEMBL3991419 0.79 P2RX7 (0.34) P2RX7
SCHEMBL13846614 0.78 AVPR1B (0.30) PTGER4

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
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-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 P2RX7 1602/4885FSCN1 4865/4885PDPK1 116/4885

“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.