SCHEMBL4484545

SCHEMBL4484545

CC[C@H](C)Cn1c(-c2c(F)cc(OCCCNC)cc2F)c(Cl)nc(-c2ccn(C)n2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
CYP19A1 P11511 1/20 0.31
P2RX3 P56373 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCR2 P41597 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL4489837 0.86 MAPT (0.33) TDP1P2RX3KDM4ENPC1USP2
SCHEMBL3985848 0.83 FPR1 (0.34)
SCHEMBL4489675 0.82 MAPK14 (0.34) P2RX3KDM4EL3MBTL1MET
SCHEMBL4489726 0.80 KDM4E (0.30) KDM4E
SCHEMBL4479605 0.79 FPR1 (0.33)
SCHEMBL4484643 0.77 WEE1 (0.30)
SCHEMBL4486345 0.73 TRAP1 (0.37) TDP1P2RX3KDM4ENPC1USP2
SCHEMBL3986813 0.73 TRAP1 (0.37) TDP1P2RX3KDM4ENPC1USP2
SCHEMBL4482133 0.73 MAPK14 (0.35) P2RX3KDM4EKMT2A
SCHEMBL3988447 0.71 KDM4E (0.32) KDM4E

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-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 US claimed
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 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-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TDP1 4223/4885CYP19A1 1131/4885P2RX3 1830/4885

“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.