SCHEMBL13970745

SCHEMBL13970745

O=C(OC[C@@H]1CC(F)[C@H](n2cnc3c(Cl)ncnc32)O1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ NT5E P21589 2/20 0.49
▸ TYMP P19971 1/20 0.48
▸ STING1 Q86WV6 2/20 0.46
▸ ABCB1 P08183 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ GSK3A P49840 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ AHCY P23526 1/20 0.40

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
SCHEMBL3163908 1.00 LMNA (0.53) LMNANT5ETYMPSTING1ABCB1
SCHEMBL3163915 1.00 LMNA (0.53) LMNANT5ETYMPSTING1ABCB1
SCHEMBL14615870 0.89 TYMP (0.50) LMNATYMPSTING1ABCB1GSK3A
SCHEMBL20059072 0.89 TYMP (0.50) LMNATYMPSTING1ABCB1GSK3A
SCHEMBL20180318 0.88 NT5E (0.58) LMNANT5E
SCHEMBL10444341 0.87 NT5E (0.55) LMNANT5ESTING1BCHE
SCHEMBL9850217 0.87 LMNA (0.51) LMNANT5ESTING1ABCB1BCHE
SCHEMBL9850211 0.87 LMNA (0.51) LMNANT5ESTING1ABCB1BCHE
SCHEMBL5389026 0.86 LMNA (0.46) LMNATYMPSTING1ABCB1GSK3A
SCHEMBL14593730 0.86 LMNA (0.46) LMNATYMPSTING1ABCB1GSK3A

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-3539546-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-09-18 — — EP disclosed
US-8329926-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-12-11 — — US disclosed
US-20090012037-A1 Antiviral Compounds GILEAD SCIENCE, INC. (US) 2009-01-08 — — 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-20090012037-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA LMNA 2219/4885NT5E 648/4885TYMP 7/4885

“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.

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