SCHEMBL21076006

SCHEMBL21076006

Cc1nc(I)nc(S)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL21048258 0.78 KDM4E (0.34) KDM4EMEN1GLATSHRHTT
SCHEMBL21048260 0.72 MAPK1 (0.37) KDM4EMEN1GLAHTTKMT2A
SCHEMBL14155640 0.70 KDM4E (0.41) KDM4EMEN1GLATSHRHTT
SCHEMBL3174550 0.70 HTT (0.36) KDM4EMEN1GLATSHRHTT
SCHEMBL21048241 0.69 PKM (0.38) KDM4EMEN1TSHRKMT2A
SCHEMBL21048255 0.68 HTT (0.35) KDM4EMEN1TSHRHTTKMT2A
SCHEMBL5809944 0.67 PDE4B (0.51) KDM4EMEN1HTTKMT2A
SCHEMBL24233046 0.65 HTT (0.58) KDM4EMEN1GLATSHRHTT
SCHEMBL20851218 0.65 KDM4E (0.34) KDM4EMEN1GLATSHRHTT
SCHEMBL19717028 0.64 KMT2A (0.39) KDM4EMEN1GLAHTTKMT2A

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-10736898-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2020-08-11 US disclosed
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-06-06 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-10736898-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 KDM4E 862/4885MEN1 3361/4885GLA 3343/4885
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 KDM4E 862/4885MEN1 3361/4885GLA 3343/4885

“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.