SCHEMBL3520144

SCHEMBL3520144

Nc1ncnc2c1ncn2CCC1CCN(C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.53
ADORA1 P30542 3/20 0.53
ADCY5 O95622 5/20 0.50
ALDH1A1 P00352 1/20 0.50
ADORA2B P29275 1/20 0.50
EGFR P00533 1/20 0.48
FGFR1 P11362 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46

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
SCHEMBL3751306 0.86 PI4KA (0.50) ADORA2AADORA1ADCY5ADORA2BEGFR
SCHEMBL3520367 0.82 ADORA2A (0.51) ADORA2AADORA1ADCY5ADORA2BFGFR1
SCHEMBL13731483 0.81 ADORA2A (0.56) ADORA2AADORA1ALDH1A1ADORA2BPI4KA
SCHEMBL3516432 0.79 ADORA2A (0.56) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL3519511 0.79 TGFBR1 (0.39) FGFR1
SCHEMBL27889143 0.79 BTK (0.52) FGFR1
SCHEMBL3515942 0.79 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL20972819 0.78 ADORA2A (0.53) ADORA2AADORA1ADCY5ADORA2BFGFR1
SCHEMBL3520158 0.77 ADORA2A (0.69) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL11909641 0.76 ADORA2A (0.50) ADORA2AADORA1ADCY5ALDH1A1ADORA2B

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
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR ADORA2A 2396/4885ADORA1 2673/4885ADCY5 885/4885

“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.