SCHEMBL7072064

SCHEMBL7072064

Cn1c(Cc2nc3cc(NC(=N)N)ccc3[nH]2)nc2ccc(C(=O)NCC(O)c3ccnc4ccccc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 6/20 0.37
MLLT1 Q03111 4/20 0.36
F2 P00734 4/20 0.35
F10 P00742 3/20 0.34
KLK5 Q9Y337 2/20 0.34
F9 P00740 2/20 0.34
F7 P08709 1/20 0.34
KLK1 P06870 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL7068332 0.81 F2 (0.40) MLLT1F2F9
SCHEMBL7067672 0.78 MLLT1 (0.41) MLLT1F2F10KLK5F9
SCHEMBL7069160 0.78 MAPT (0.44) MLLT1F2TSHRMAPK10
SCHEMBL7072410 0.77 MAPT (0.43) TSHRMAPK10
SCHEMBL7072413 0.76 MAPT (0.43) F10TSHRMAPK10
SCHEMBL7071781 0.75 F10 (0.42) F10
SCHEMBL7071866 0.74 MLLT1 (0.36) MLLT1F9TSHR
SCHEMBL7071907 0.72 NOD1 (0.38) ACSS2MLLT1F9TSHR
SCHEMBL7364157 0.72 MAPT (0.42) F9
SCHEMBL7072014 0.71 ACSS2 (0.39) ACSS2F9TSHR

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 ACSS2 609/4885MLLT1 4411/4885F2 1732/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885MLLT1 3937/4885F2 1787/4885

“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.