SCHEMBL3708548

SCHEMBL3708548

COCCCNS(=O)(=O)c1ccc(Nc2nc(N3CCC(N(C)C(=O)O)CC3)c3occc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.39
CDK4 P11802 3/20 0.39
CDK1 P06493 1/20 0.39
SYK P43405 1/20 0.39
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 3/20 0.38
JAK1 P23458 2/20 0.36
JAK2 O60674 1/20 0.36
MAPK1 P28482 2/20 0.36
PLK1 P53350 2/20 0.36
PLK3 Q9H4B4 2/20 0.36
PLK2 Q9NYY3 2/20 0.36
S1PR1 P21453 1/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3709259 0.90 ALDH1A1 (0.39) CDK2CDK4CDK1SYKNAMPT
SCHEMBL3708551 0.88 ALDH1A1 (0.42) CDK2CDK4CDK1SYKNAMPT
SCHEMBL3705759 0.86 ALDH1A1 (0.42) CDK2CDK4CDK1SYKNAMPT
SCHEMBL3703750 0.86 ALDH1A1 (0.42) CDK2CDK4CDK1SYKNAMPT
SCHEMBL3706179 0.84 PIK3R1 (0.43) CDK2CDK1JAK2
SCHEMBL3699360 0.83 ALDH1A1 (0.39) CDK2CDK4CDK1SYKNAMPT
SCHEMBL3707735 0.78 LMNA (0.39) SYKALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3700449 0.78 ALDH1A1 (0.41) CDK4SYKALDH1A1MAPK1LMNA
SCHEMBL3710086 0.77 SYK (0.55) CDK2CDK4CDK1SYKNAMPT
SCHEMBL3710081 0.76 JAK3 (0.44) CDK2CDK4CDK1SYKJAK1

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-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 CDK2 1/4885CDK4 5/4885CDK1 7/4885

“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.