SCHEMBL16708575

SCHEMBL16708575

CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ccnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ BTN3A1 O00481 4/20 0.33
▸ POLRMT O00411 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
SCHEMBL16708582 0.94 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1
SCHEMBL26276414 0.93 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL16708576 0.93 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL26276416 0.92 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL26276412 0.92 BTN3A1 (0.39) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL26276409 0.92 BTN3A1 (0.39) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL26276447 0.92 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL23818482 0.91 POLRMT (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL20500113 0.91 POLRMT (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL23818942 0.91 POLRMT (0.40) CYP3A4CYP2C9BTN3A1POLRMT

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-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2018-01-18 — — US disclosed
US-9388208-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2016-07-12 — — US disclosed
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS ROSEMOUNT INC. 2015-05-14 — — 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 (2 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-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 CYP3A4 1982/4885CYP2C9 3912/4885BTN3A1 2824/4885
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 CYP3A4 1982/4885CYP2C9 3912/4885BTN3A1 2824/4885

“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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