SCHEMBL3034786

SCHEMBL3034786

CN(C(=O)O)c1cnc2c(c1)c(I)nn2C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.33
GSK3B P49841 1/20 0.33
POLB P06746 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
NR3C1 P04150 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
SCHEMBL16199065 0.69 HPGD (0.46) SPRGSK3BPOLBMEN1HPGD
SCHEMBL22583529 0.62 KDM4E (0.32) MEN1HPGDKMT2A
SCHEMBL22582875 0.62 NOS3 (0.46) POLBMEN1KMT2A
SCHEMBL13927834 0.62 GABRG2 (0.37) POLBKDM4CKDM5AKDM5BKMT2A
SCHEMBL5070874 0.60 SPR (0.61) SPRPOLBHPGDNR3C1
SCHEMBL15882236 0.60 P2RX7 (0.31)
SCHEMBL22583203 0.59
SCHEMBL28915484 0.59 HSD17B10 (0.38) POLBMEN1KMT2A
SCHEMBL6386783 0.59 NNMT (0.36) POLBMEN1KMT2A
SCHEMBL2094148 0.59 SCN2A (0.51) POLBKMT2A

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-20130165439-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 US disclosed
US-20100210644-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 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 (2 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-20130165439-A1 CHEMICAL COMPOUNDS MKI67, CCNT1, CCNA1 SPR 4284/4885GSK3B 998/4885POLB 3534/4885
US-20100210644-A1 CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 SPR 4323/4885GSK3B 1012/4885POLB 3599/4885

“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.