SCHEMBL7069042

SCHEMBL7069042

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCn3c(=O)n(CC[Si](C)(C)C)c(=O)c4ccccc43)cc2n1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 3/20 0.33
MAPT P10636 8/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
POLB P06746 1/20 0.32
UBE2N P61088 1/20 0.32
TP53 P04637 2/20 0.31
HDAC1 Q13547 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 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
SCHEMBL7072759 0.88 TNKS (0.41) MLLT1MAPTACSS2
SCHEMBL7070345 0.82 TRPV1 (0.37) MAPTALDH1A1ACSS2POLBHSD17B10
SCHEMBL7071918 0.80 ITGB3 (0.39) ACSS2
SCHEMBL7071802 0.80 TPSAB1 (0.37) MAPTACSS2TP53HPGDHTT
SCHEMBL7067672 0.79 MLLT1 (0.41) MLLT1MAPTALDH1A1POLBGAA
SCHEMBL7075123 0.79 PDE4A (0.42) MAPTKDM4EPOLBHPGD
SCHEMBL7072722 0.78 MAPT (0.38) MAPTACSS2HPGD
SCHEMBL7067665 0.78 TPSAB1 (0.36) MAPTACSS2
SCHEMBL7075972 0.77 CYP1A2 (0.37) MAPTALDH1A1KDM4EACSS2HPGD
SCHEMBL7073370 0.77 TPSAB1 (0.42) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 MLLT1 4411/4885MAPT 2104/4885ALDH1A1 1860/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MLLT1 3937/4885MAPT 2289/4885ALDH1A1 729/4885

“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.