SCHEMBL2077857

SCHEMBL2077857

N=C(N)c1ccc2[nH]c(-c3cccc(-c4nc5cc(C(=N)N)ccc5[nH]4)n3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.60
F10 P00742 10/20 0.60
F7 P08709 2/20 0.60
PLAU P00749 9/20 0.56
PRSS1 P07477 9/20 0.56
PLG P00747 8/20 0.56
PLAT P00750 8/20 0.56
HPN P05981 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
BLM P54132 1/20 0.50
UBE2N P61088 1/20 0.50
KMT2A Q03164 1/20 0.50
F9 P00740 1/20 0.49

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
SCHEMBL7408233 0.92 F2 (0.55) F2F10F7PLAUPRSS1
SCHEMBL23201240 0.91 F2 (0.54) F2F10F7PLAUPRSS1
SCHEMBL30882746 0.91 F2 (0.54) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL31364563 0.90 F2 (0.53) F2F10F7PLAUPRSS1
SCHEMBL23793811 0.89 F10 (0.50) F2F10F7PLAUPRSS1
SCHEMBL23793906 0.87 F2 (0.51) F2F10F7PLAUPRSS1
SCHEMBL7405355 0.87 F10 (0.51) F2F10F7PLAUPRSS1
SCHEMBL23775703 0.87 F2 (0.55) F2F10F7PLAUPRSS1
Acetic Acid SCHEMBL5440440 0.87 PLAU (0.49) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL30387135 0.86 F2 (0.50) F2F10F7PLAUPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
EP-0973750-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION UNIV NORTH CAROLINA (US) 2004-04-21 EP claimed
EP-0831832-B1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES UNIV NORTH CAROLINA (US) 2003-12-17 EP claimed
US-7875614-B2 compounds for treatment of tumors MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-20080194569-A1 Phthalazinones MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20050137185-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INCORPORATED 2005-06-23 US disclosed
US-5667975-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans THE UNIVERSITY OF NORTH CAROLINA 1997-09-16 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-20080194569-A1 Phthalazinones RB1, H1-3, H1-2 F2 1365/4885F10 2112/4885F7 1287/4885
US-20050137185-A1 Combinations of drugs for the treatment of neoplasms MKI67, DHFR, IL5 F2 3796/4885F10 4118/4885F7 4322/4885

“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.