SCHEMBL3248482

SCHEMBL3248482

CCNc1ccc(NC(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.54
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
PRSS1 P07477 8/20 0.41
MAPT P10636 1/20 0.41
F2 P00734 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
TMPRSS6 Q8IU80 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1996992 0.82 F2 (0.50) PRSS1MAPTF2PRSS2PRSS3
SCHEMBL12514072 0.80 AOC3 (0.44) ADRA2AADRA2BADRA2C
SCHEMBL13716049 0.79 PRSS1 (0.66) ADRA2AADRA2BADRA2CPRSS1F2
SCHEMBL3772999 0.79 GRIN2D (0.58) PRSS1MAPTF2
SCHEMBL1445800 0.79 PRSS1 (0.39) ADRA2APRSS1F2PRSS2PRSS3
SCHEMBL526383 0.76 MAPT (0.58) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL10310275 0.76 MAPT (0.56) MAPTLMNA
SCHEMBL7525218 0.76 KDM4E (0.37) ADRA2AADRA2BADRA2CPRSS1MAPT
SCHEMBL25993003 0.76 PRSS1 (0.43) PRSS1MAPTF2PRSS2PRSS3
SCHEMBL166139 0.76 KIF11 (0.55) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 US disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 US disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 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-20100160332-A1 a2-Adrenoceptor Ligands ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 5/4885ADRA2C 3/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 ADRA2A 3680/4885ADRA2B 3825/4885ADRA2C 3508/4885

“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.