SCHEMBL427141

SCHEMBL427141

C#CCN(CC#N)c1nc(N(CC#N)CC#N)nc(N(CC#N)CC#N)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL469797 0.88 TSHR (0.44) TSHRTDP1MAPTSMN1; SMN2
SCHEMBL11776698 0.73 ALDH1A1 (0.36) TSHRTDP1MAPTSMN1; SMN2
SCHEMBL427149 0.70 MAPT (0.41) TSHRTDP1MAPTSMN1; SMN2
SCHEMBL20364817 0.64 CYP1A2 (0.42)
SCHEMBL469847 0.64 MAPT (0.48) TSHRTDP1MAPTSMN1; SMN2
SCHEMBL13338103 0.57 CA12 (0.63) TSHRSMN1; SMN2CA1CA2
SCHEMBL11411730 0.55
SCHEMBL978318 0.55 CA12 (0.48) TSHRSMN1; SMN2CA1CA2
SCHEMBL20364830 0.54 LCK (0.43) TDP1
SCHEMBL428376 0.54

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-20120063976-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME BATTELLE ENERGY ALLIANCE, LLC (US) 2012-03-15 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-20120063976-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME CHRM2, CHRM1, CHRM3 TSHR 587/4885TDP1 3486/4885MAPT 3538/4885

“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.