SCHEMBL548437

SCHEMBL548437

N=C(N)c1ccc2[nH]c(/C=C/c3nc4cc(C(=N)N)ccc4[nH]3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.49
F2 P00734 4/20 0.49
F7 P08709 2/20 0.49
TPSAB1 Q15661 3/20 0.48
PRSS1 P07477 3/20 0.48
PLAU P00749 2/20 0.48
PLG P00747 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL5329388 1.00 F10 (0.49) F10F2F7TPSAB1PRSS1
SCHEMBL9101801 0.88 F10 (0.47) F10F2F7TPSAB1PRSS1
SCHEMBL20184761 0.87 F10 (0.63) F10F2F7TPSAB1PRSS1
SCHEMBL5329624 0.87 F10 (0.50) F10F2F7TPSAB1PRSS1
SCHEMBL12412058 0.85 PRMT1 (0.66) F10F2F7
SCHEMBL6680675 0.80 F2 (0.51) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL29202497 0.80 F2 (0.68) F10F2F7TPSAB1PRSS1
SCHEMBL5237850 0.79 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL6165236 0.79 PLAU (0.40) F10F2F7TPSAB1PRSS1
SCHEMBL548419 0.77 F10 (0.63) F10F2F7TPSAB1PRSS1

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 95 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
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN 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-6815461-B1 ADMINISTERING BIS-BENZIMIDAZOLE COMPOUND; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-11-09 US claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US 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-0664703-B1 METHODS OF COMBATING (PNEUMOCYSTIS CARINII) PNEUMONIA AND COMPOUNDS USEFUL THEREFOR UNIV NORTH CAROLINA (US) 1999-12-15 EP claimed
EP-0739202-B1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE UNIV NORTH CAROLINA (US) 1998-12-16 EP claimed
US-5428051-A Side effect reduction; nontoxic; bis-benzimidazole compounds UNIVERSITY OF NORTH CAROLINA (US) 1995-06-27 US claimed
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP disclosed
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
WO-1995019772-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-07-27 WO disclosed
US-5428051-A Side effect reduction; nontoxic; bis-benzimidazole compounds UNIVERSITY OF NORTH CAROLINA (US) 1995-06-27 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 (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 F10 4333/4885F2 4176/4885F7 4639/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC F10 2519/4885F2 2085/4885F7 3348/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR F10 3617/4885F2 3907/4885F7 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.