SCHEMBL14033317

SCHEMBL14033317

O=C(O)c1cnn2cc(Cc3ccc(F)c(Cl)c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
KDR P35968 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDE2A O00408 5/20 0.39
PDE10A Q9Y233 3/20 0.39
GPR52 Q9Y2T5 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PTPN1 P18031 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
MAPK1 P28482 1/20 0.37
RPA1 P27694 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4555090 0.89 KDM5A (0.45) PIK3CAKDM5AKDM5BPDE2AIRAK4
SCHEMBL4555621 0.85 GPR52 (0.50) PDE2APDE10AGPR52IRAK4
SCHEMBL4439750 0.85 PDE2A (0.41) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL14033024 0.84 GRM2 (0.42) KDM5AKDM5BPDE2AGPR52
SCHEMBL14033857 0.83 KDM4A (0.50) KDM5AKDM5BPDE2AMRGPRX4
SCHEMBL14033706 0.83 GPR52 (0.41) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL14033150 0.81 KDM5A (0.53) KDM5AKDM5BPDE2APDE10AMRGPRX4
SCHEMBL14033015 0.79 PDE2A (0.41) PDE2AGPR52IRAK4MAPK1KDM4E
SCHEMBL4437980 0.78 PDE2A (0.38) PDE2APDE10AGPR52IRAK4ALDH1A1
SCHEMBL4555759 0.78 GRM2 (0.41) PDE2AGPR52KDM4EALDH1A1

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-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 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-20080255153-A1 New compounds SCD, SCD5, FADS2 PIK3CA 1086/4885KDR 1599/4885KDM5A 1041/4885

“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.