SCHEMBL3712640

SCHEMBL3712640

OCC1CCC(Nc2nc(Cl)nc3c2ncn3C2CCCCO2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.66
ADORA3 P0DMS8 3/20 0.58
ADORA2A P29274 3/20 0.58
ADORA2B P29275 3/20 0.58
ADORA1 P30542 3/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
ALOX15 P16050 1/20 0.54

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
SCHEMBL2709647 0.92 YTHDC1 (0.77) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2709651 0.92 YTHDC1 (0.77) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2943022 0.92 YTHDC1 (0.77) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL16549238 0.90 YTHDC1 (0.77) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL17902888 0.89 YTHDC1 (0.76) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2945927 0.89 YTHDC1 (0.76) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL5447191 0.89 YTHDC1 (0.76) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2946809 0.87 YTHDC1 (0.72) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL17262855 0.84 YTHDC1 (0.72) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL17902915 0.82 YTHDC1 (0.71) YTHDC1ADORA3ADORA2AADORA2BADORA1

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 YTHDC1 4523/4885ADORA3 1744/4885ADORA2A 1259/4885

“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.