SCHEMBL4079498

SCHEMBL4079498

CC1CN(c2ccccc2)c2nc(Cl)ncc2N(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PLK2 Q9NYY3 4/20 0.36
PLK1 P53350 3/20 0.36
STK4 Q13043 3/20 0.35
VRK1 Q99986 1/20 0.35
PIN1 Q13526 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR2 O43614 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GAA P10253 1/20 0.33
G6PD P11413 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.33
BRD4 O60885 1/20 0.33
PLK3 Q9H4B4 1/20 0.32

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
SCHEMBL4089875 0.81 VRK1 (0.41) PLK1VRK1HPGDBRD4
SCHEMBL16390761 0.79 PLK2 (0.44) MAPTPLK2PLK1STK4VRK1
SCHEMBL1202898 0.78 MAPT (0.43) MAPTPLK1PIN1ALDH1A1POLB
SCHEMBL3670859 0.76 GAA (0.42) MAPTUSP2ALDH1A1POLBHPGD
SCHEMBL4106908 0.76 SMN1; SMN2 (0.40) MAPTPLK2PLK1PIN1ALDH1A1
SCHEMBL13814857 0.76 MAPT (0.43) MAPTPIN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1559401 0.75 MAPT (0.41) MAPTPLK2PLK1STK4PIN1
SCHEMBL12323830 0.75 MAPT (0.49) MAPTPIN1ALDH1A1POLBHPGD
SCHEMBL12323364 0.75 MAPT (0.49) MAPTPIN1ALDH1A1POLBHPGD
SCHEMBL14599887 0.75 ALDH1A1 (0.43) MAPTUSP2ALDH1A1POLBHPGD

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-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 MAPT 2296/4885PLK2 5/4885PLK1 1/4885

“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.