SCHEMBL795950

SCHEMBL795950

CC(C)c1ccc(Nc2ncnc3nc[nH]c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.68
RAB9A P51151 9/20 0.67
NPC1 O15118 8/20 0.67
BRAF P15056 2/20 0.64
SMN1; SMN2 Q16637 8/20 0.62
HSD17B10 Q99714 5/20 0.62
HTT P42858 5/20 0.62
TP53 P04637 3/20 0.62
TSHR P16473 2/20 0.62
MAPK1 P28482 2/20 0.62
TOP2A P11388 1/20 0.61
HPGD P15428 4/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ROCK1 Q13464 1/20 0.60
GFER P55789 1/20 0.58
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
BRD4 O60885 1/20 0.52

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
SCHEMBL4923804 0.84 MKNK1 (0.73) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL4926098 0.84 MKNK1 (0.73) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL4922517 0.81 MKNK1 (1.00) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL4921641 0.81 MKNK1 (0.73) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL1060507 0.80 MKNK1 (0.72) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL4913787 0.80 RAB9A (0.72) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL4923491 0.80 RAB9A (0.70) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL796978 0.80 BRAF (0.65) BRAFTNNI3K
SCHEMBL4923493 0.77 SMN1; SMN2 (0.78) MKNK1RAB9ANPC1BRAFSMN1; SMN2
SCHEMBL4923460 0.75 ROCK1 (0.64) MKNK1RAB9ANPC1BRAFSMN1; SMN2

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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO 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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 MKNK1 1502/4885RAB9A 897/4885NPC1 1068/4885

“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.