SCHEMBL10108330

SCHEMBL10108330

Cn1cnc(N=O)c1CBr

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10108327 0.81 APOBEC3A (0.32) CYP1A2CYP3A4PDE4AADORA2AADORA2B
SCHEMBL10108149 0.81 CYP1A2 (0.31) CYP1A2CYP3A4PDE4AADORA2AADORA2B
SCHEMBL10108324 0.79 ALDH1A1 (0.36) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL859866 0.69
SCHEMBL868820 0.67 KDM4E (0.56) BLM
SCHEMBL10108563 0.62 PSMB8 (0.31)
SCHEMBL10108551 0.62
SCHEMBL17689166 0.58
SCHEMBL16399686 0.58 APOBEC3A (0.42) ADORA2B
SCHEMBL31332863 0.57

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CYP1A2 1095/4885CYP3A4 923/4885PDE4A 1127/4885

“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.