SCHEMBL2946809

SCHEMBL2946809

Clc1nc(NC2CCOCC2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.72
ADORA3 P0DMS8 8/20 0.56
ADORA1 P30542 7/20 0.56
ADORA2A P29274 6/20 0.56
ADORA2B P29275 3/20 0.56
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 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
SCHEMBL2943022 0.94 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2709651 0.94 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16549238 0.94 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2709647 0.94 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17902888 0.93 YTHDC1 (0.76) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5447191 0.93 YTHDC1 (0.76) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2945927 0.93 YTHDC1 (0.76) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17262855 0.89 YTHDC1 (0.72) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3712640 0.87 YTHDC1 (0.66) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL28429578 0.84 YTHDC1 (0.69) YTHDC1ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377925-B Purine derivatives, preparation method thereof and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2024-03-12 CN disclosed
CN-111377925-A Purine derivative, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2020-07-07 CN disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 YTHDC1 4523/4885ADORA3 1744/4885ADORA1 2771/4885

“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.