SCHEMBL549166

SCHEMBL549166

N=C(N)c1ccc2[nH]c(-c3ccc(-c4nc5cc(C(=N)N)ccc5[nH]4)o3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.56
F10 P00742 9/20 0.56
F7 P08709 3/20 0.56
PLAU P00749 7/20 0.51
PRSS1 P07477 7/20 0.51
PLG P00747 6/20 0.49
PLAT P00750 5/20 0.49
HPN P05981 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48

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
Hydrochloric Acid SCHEMBL11294147 0.99 F2 (0.55) F2F10F7PLAUPRSS1
SCHEMBL14259601 0.88 F2 (0.68) F2F10F7PLAUPRSS1
SCHEMBL29699362 0.88 F2 (0.68) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL29202497 0.86 F2 (0.68) F2F10F7PLAUPRSS1
SCHEMBL8677683 0.83 F2 (0.54) F2F10F7PLAUPRSS1
SCHEMBL23775586 0.83 F2 (0.53) F2F10F7PLAUPRSS1
SCHEMBL12348382 0.82 PLAU (0.62) F2F10F7PLAUPRSS1
Hydrochloric Acid SCHEMBL11298806 0.82 PLAU (0.65) F2F10F7PLAUPRSS1
SCHEMBL7879342 0.82 PLAU (0.65) F2F10F7PLAUPRSS1
SCHEMBL548406 0.82 F2 (0.58) 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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
EP-0973750-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION UNIV NORTH CAROLINA (US) 2004-04-21 EP claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
EP-0973750-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION The University of North Carolina at Chapel Hill (US) 2000-01-26 EP claimed
US-5817686-A CANDIDA ALBICANS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-10-06 US claimed
WO-1998038170-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-03 WO claimed
US-5792782-A TREATING CRYPTOCOCCUS NEOFORMANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-08-11 US claimed
EP-0831832-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP claimed
WO-1996040145-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO claimed
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP disclosed
WO-1996040145-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO 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 (3 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 F2 4176/4885F10 4333/4885F7 4639/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC F2 2085/4885F10 2519/4885F7 3348/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR F2 3907/4885F10 3617/4885F7 3902/4885

“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.