SCHEMBL4267091

SCHEMBL4267091

Nc1ncnc2c1ncn2CC1([O])CC1(CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.50
ADORA1 P30542 4/20 0.50
PI4KA P42356 3/20 0.50
PI4K2B Q8TCG2 3/20 0.50
PI4K2A Q9BTU6 3/20 0.50
PI4KB Q9UBF8 3/20 0.50
ADORA2B P29275 1/20 0.45
NSD2 O96028 1/20 0.43
NSD3 Q9BZ95 1/20 0.43
ADCY5 O95622 3/20 0.43
ALDH1A1 P00352 1/20 0.43
AHCY P23526 5/20 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
SCHEMBL4272738 0.85 CDK1 (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2911275 0.76 CYP3A4 (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4273041 0.75 HDAC6 (0.39) ALDH1A1
SCHEMBL10835443 0.70 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3005457 0.70 ADORA2A (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3005461 0.70 ADORA2A (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3293432 0.68 FGFR1 (0.47) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2495370 0.68 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22558037 0.68 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1924594 0.68 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US claimed
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 US claimed

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-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ADORA2A 119/4885ADORA1 174/4885PI4KA 254/4885

“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.