SCHEMBL4171323

SCHEMBL4171323

CCOC(=O)N1CCN(c2ccc(NC(=N)N)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
LMNA P02545 5/20 0.64
GAA P10253 3/20 0.64
KDM4E B2RXH2 2/20 0.64
POLB P06746 2/20 0.62
ABL1 P00519 1/20 0.62
RIN1 Q13671 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP2C19 P33261 1/20 0.57
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL2491807 0.84 CA1 (0.57) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4162969 0.82 MAPT (0.75) MAPTLMNAGAAKDM4ETDP1
SCHEMBL27456657 0.81 MAPT (0.71) MAPTLMNAGAAKDM4EPOLB
SCHEMBL2581059 0.80 MAPT (0.75) MAPTLMNAGAAKDM4EPOLB
SCHEMBL11889801 0.80 MAPT (0.74) MAPTLMNAGAAKDM4EPOLB
SCHEMBL15127501 0.80 MAPT (0.79) MAPTLMNAGAAKDM4EPOLB
Bicarbonate SCHEMBL3547040 0.80 MAPT (0.71) MAPTLMNAGAAKDM4ETDP1
SCHEMBL7885204 0.79 GAA (0.70) MAPTLMNAGAAKDM4EPOLB
SCHEMBL5542804 0.79 MAPT (0.77) MAPTLMNAGAAKDM4EPOLB
SCHEMBL5542809 0.79 MAPT (1.00) MAPTLMNAGAAKDM4EPOLB

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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 MAPT 2054/4885LMNA 1768/4885GAA 1172/4885

“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.