SCHEMBL19770366

SCHEMBL19770366

CCCOCn1cnc(-c2cnc(N)nc2N)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.38
FGFR1 P11362 2/20 0.35
PKM P14618 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL19770367 0.89 PIK3R1 (0.33) DHFRFGFR1PIK3CA
SCHEMBL20799377 0.81 DHFR (0.41) DHFR
SCHEMBL19770368 0.78 TSHR (0.34) DHFRPIK3CA
SCHEMBL17963621 0.77 MAPT (0.36) DHFRFGFR1
SCHEMBL21125475 0.76 TSHR (0.34)
SCHEMBL19770359 0.74 KDM4E (0.35) PIK3CA
SCHEMBL17963639 0.72 TSHR (0.34) DHFRPIK3CA
SCHEMBL17963641 0.72 MAPT (0.42) DHFR
SCHEMBL20712621 0.67 ADORA1 (0.36) DHFRPIK3CA
SCHEMBL28866573 0.67 ALPL (0.34)

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 DHFR 85/4885FGFR1 2760/4885PKM 1462/4885

“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.