SCHEMBL26522968

SCHEMBL26522968

C=C/C=N/c1cn(C)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL20205012 0.81 CYP2C9 (0.32) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL3676714 0.69
SCHEMBL608314 0.64
SCHEMBL14541307 0.64
SCHEMBL14818802 0.63 ADORA2A (0.33)
SCHEMBL609724 0.63 CYP2C9 (0.33) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13563915 0.61 CYP2C9 (0.58) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL360382 0.60
SCHEMBL22541344 0.59 TSHR (0.55) CYP2C9TSHRCYP2C19MTORHRH4
Iodide SCHEMBL7057387 0.59 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4

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-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 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-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CYP2C9 3198/4885TSHR 3733/4885CYP2C19 3262/4885

“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.