SCHEMBL3314965

SCHEMBL3314965

CC1(C)O[C@@H]2[C@H](O1)[C@@H](/C=C/P(=O)(O)O)O[C@H]2n1ncc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.36
▸ KDR P35968 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FRK P42685 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ SRPK1 Q96SB4 1/20 0.34
▸ MAP3K20 Q9NYL2 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33

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
SCHEMBL3315013 1.00 RET (0.36) RETKDRALDH1A1POLBTP53
SCHEMBL13396566 0.89 RET (0.35) RETKDRALDH1A1POLBLMNA
SCHEMBL3319978 0.85 NT5E (0.37) RETKDRALDH1A1POLBTP53
SCHEMBL3319923 0.85 NT5E (0.37) RETKDRALDH1A1POLBTP53
SCHEMBL3319957 0.85 NT5E (0.37) RETKDRALDH1A1POLBTP53
SCHEMBL3410015 0.84 P2RY12 (0.45) —
SCHEMBL3409958 0.84 P2RY12 (0.45) —
SCHEMBL3320879 0.82 PI4KA (0.44) RETKDRALDH1A1LMNASMN1; SMN2
SCHEMBL3320870 0.82 PI4KA (0.44) RETKDRALDH1A1LMNASMN1; SMN2
SCHEMBL13396429 0.76 P2RY12 (0.37) ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — 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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 RET 3531/4885KDR 4053/4885ALDH1A1 2008/4885

“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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