SCHEMBL548422

SCHEMBL548422

c1c[nH]c(-c2ccc3[nH]c(CCc4nc5cc(-c6ncc[nH]6)ccc5[nH]4)nc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
AAK1 Q2M2I8 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 2/20 0.38
MAPT P10636 2/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL548266 0.94 POLB (0.50) NISCHPOLBKMT2ACYP1A2CYP3A4
SCHEMBL548416 0.94 POLB (0.46) NISCHPOLBKMT2AMTORADK
SCHEMBL5304913 0.93 POLB (0.49) NISCHPOLBKMT2ACYP1A2CYP3A4
SCHEMBL548479 0.91 NISCH (0.42) NISCHRAB9ANPC1MTORADK
SCHEMBL548423 0.90 KMT2A (0.50) NISCHPOLBKMT2ARAB9ANPC1
SCHEMBL7834814 0.89 TDP1 (0.46) NISCHMTORADKCYP1A2CYP3A4
SCHEMBL5311172 0.88 CYP1A2 (0.48) NISCHPOLBKMT2ACYP1A2CYP3A4
SCHEMBL549254 0.87 NISCH (0.40) NISCHPOLBKMT2ARAB9ANPC1
SCHEMBL549255 0.87 NISCH (0.40) NISCHPOLBKMT2ARAB9ANPC1
SCHEMBL548367 0.84 NISCH (0.33) NISCHPOLBKMT2ARAB9ANPC1

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 70 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
CN-1829509-A Pharmaceutical composition for treating tumors COMBINATORX INC (US) 2006-09-06 CN 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-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-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
EP-2121700-B1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2012-10-03 EP disclosed
EP-0664703-B1 METHODS OF COMBATING (PNEUMOCYSTIS CARINII) PNEUMONIA AND COMPOUNDS USEFUL THEREFOR UNIV NORTH CAROLINA (US) 1999-12-15 EP disclosed
EP-0739202-B1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE UNIV NORTH CAROLINA (US) 1998-12-16 EP disclosed
US-5578631-A BACTERICIDES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-26 US 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 NISCH 967/4885POLB 3145/4885KMT2A 770/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC NISCH 284/4885POLB 1245/4885KMT2A 1679/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR NISCH 802/4885POLB 1214/4885KMT2A 1305/4885

“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.