SCHEMBL19770367

SCHEMBL19770367

CCCOCn1cnc(-c2cnc(N)nc2C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
ACHE P22303 1/20 0.33
DHFR P00374 3/20 0.32
HSP90AA1 P07900 1/20 0.32
FGFR1 P11362 1/20 0.31
ABL1 P00519 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL19770368 0.89 TSHR (0.34) PIK3R1PIK3CAMTORACHEDHFR
SCHEMBL19770366 0.89 DHFR (0.38) PIK3CADHFRFGFR1
SCHEMBL19770359 0.85 KDM4E (0.35) PIK3R1PIK3CAMTORACHEHSP90AA1
SCHEMBL19770364 0.76 HTT (0.33) RAB9ASMN1; SMN2MAPT
SCHEMBL17963621 0.76 MAPT (0.36) DHFRFGFR1LMNAMAPT
SCHEMBL21125475 0.75 TSHR (0.34) LMNAMAPT
SCHEMBL17963639 0.74 TSHR (0.34) PIK3CADHFRHSP90AA1LMNAMAPT
SCHEMBL17963641 0.71 MAPT (0.42) DHFRMAPT
SCHEMBL20799377 0.71 DHFR (0.41) DHFRMAPT
SCHEMBL20712621 0.66 ADORA1 (0.36) PIK3CADHFRRAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015052-A1 DESIGN, SYNTHESIS AND METHODS OF USE OF ACYCLIC FLEXMIER NUCLEOSIDE ANALOGUES HAVING ANTI-CORONAVIRUS ACTIVITY UNIV MARYLAND (US) 2018-01-18 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-20180015052-A1 DESIGN, SYNTHESIS AND METHODS OF USE OF ACYCLIC FLEXMIER NUCLEOSIDE ANALOGUES HAVING ANTI-CORONAVIRUS ACTIVITY RNGTT, ACE, ADAR PIK3R1 3763/4885PIK3CA 1848/4885MTOR 1642/4885

“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.