SCHEMBL3703750

SCHEMBL3703750

CNCC1CCN(c2nc(Nc3ccc(S(=O)(=O)NCCCOC)cc3)nc3ccoc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CDK2 P24941 7/20 0.41
CDK4 P11802 4/20 0.41
CDK1 P06493 1/20 0.41
SYK P43405 1/20 0.38
SRC P12931 1/20 0.37
PLK1 P53350 2/20 0.37
PLK3 Q9H4B4 2/20 0.37
PLK2 Q9NYY3 2/20 0.37
NAMPT P43490 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3705759 0.92 ALDH1A1 (0.42) ALDH1A1CDK2CDK4CDK1SYK
SCHEMBL3708551 0.91 ALDH1A1 (0.42) ALDH1A1CDK2CDK4CDK1SYK
SCHEMBL3699360 0.90 ALDH1A1 (0.39) ALDH1A1CDK2CDK4CDK1SYK
SCHEMBL3709259 0.89 ALDH1A1 (0.39) ALDH1A1CDK2CDK4CDK1SYK
SCHEMBL3708548 0.86 CDK2 (0.39) ALDH1A1CDK2CDK4CDK1SYK
SCHEMBL3710086 0.81 SYK (0.55) ALDH1A1CDK2CDK4CDK1SYK
SCHEMBL7603962 0.76 CA1 (0.44) CDK2CDK1PLK1PLK3PLK2
SCHEMBL10269118 0.76 LRRK2 (0.39) ALDH1A1CDK1SYKMAPK1LMNA
SCHEMBL3702606 0.74 CA1 (0.45) CDK2CDK1
SCHEMBL3704717 0.74 PIK3R1 (0.42)

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 6 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 claimed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
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
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 ALDH1A1 489/4885CDK2 1/4885CDK4 5/4885

“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.