SCHEMBL3985755

SCHEMBL3985755

CCN1C[C@H](C)n2c(c(OC)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)NC)c32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
PDE5A O76074 1/20 0.34
P2RX7 Q99572 9/20 0.34
PDPK1 O15530 1/20 0.33
CXCR3 P49682 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
MCL1 Q07820 2/20 0.32
SCD O00767 1/20 0.32
FSCN1 Q16658 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
SCHEMBL3984882 0.92 PTGER4 (0.34) PTGER4PDE5ACXCR3POLBFSCN1
SCHEMBL26076726 0.92 PTGER4 (0.34) PTGER4PDE5ACXCR3POLBFSCN1
SCHEMBL10347552 0.92 PTGER4 (0.34) PTGER4PDE5ACXCR3POLBFSCN1
SCHEMBL26076711 0.92 PTGER4 (0.34) PTGER4P2RX7PDPK1CXCR3POLB
SCHEMBL3984084 0.88 P2RX7 (0.35) P2RX7
SCHEMBL3985796 0.86 P2RX7 (0.34) P2RX7
SCHEMBL3985645 0.86 P2RX7 (0.34) P2RX7
SCHEMBL3985071 0.83 P2RX7 (0.33) P2RX7
SCHEMBL3985070 0.83 P2RX7 (0.33) P2RX7
SCHEMBL3985769 0.80 GRM2 (0.35) PTGER4PDE5AP2RX7MCL1

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 PTGER4 2608/4885PDE5A 422/4885P2RX7 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.