SCHEMBL2946115

SCHEMBL2946115

NCCCOc1ccc(Nc2nc(NC3CCCCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.48
ADORA2A P29274 6/20 0.48
ADORA1 P30542 6/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
TTK P33981 1/20 0.44
JAK3 P52333 1/20 0.44
AURKB Q96GD4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AURKC Q9UQB9 1/20 0.44
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
TOP2A P11388 1/20 0.43
MERTK Q12866 1/20 0.42
SYK P43405 3/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL18651582 0.85 ADORA3 (0.43) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL2946038 0.85 AXL (0.47) ADORA3ADORA2AADORA1TTKMERTK
SCHEMBL17265736 0.85 HDAC1 (0.44) ADORA3ADORA2AADORA1JAK2JAK1
SCHEMBL18656916 0.85 HDAC1 (0.44) ADORA3ADORA2AADORA1JAK2JAK1
SCHEMBL18651583 0.85 HDAC1 (0.44) ADORA3ADORA2AADORA1JAK2JAK1
SCHEMBL17262781 0.85 HDAC1 (0.44) ADORA3ADORA2AADORA1JAK2JAK1
Hydrochloric Acid SCHEMBL17262883 0.85 ADORA3 (0.43) ADORA3ADORA2AADORA1MEN1KMT2A
Hydrochloric Acid SCHEMBL17262868 0.84 HDAC1 (0.46) ADORA3ADORA2AADORA1JAK2JAK1
Hydrochloric Acid SCHEMBL17262764 0.84 HDAC1 (0.46) ADORA3ADORA2AADORA1JAK2JAK1
Hydrochloric Acid SCHEMBL17262779 0.84 HDAC1 (0.46) ADORA3ADORA2AADORA1JAK2JAK1

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
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 ADORA3 1744/4885ADORA2A 1259/4885ADORA1 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.