SCHEMBL549272

SCHEMBL549272

CC(=CCCc1nc2ccc(-c3ncc[nH]3)cc2[nH]1)c1nc2ccc(-c3ncc[nH]3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.40
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
NISCH Q9Y2I1 1/20 0.35
PRKCI P41743 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
RAD52 P43351 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL549270 0.93 NISCH (0.34) AAK1KMT2APOLBNISCHKDM4E
SCHEMBL549271 0.93 NISCH (0.34) AAK1KMT2APOLBNISCHKDM4E
SCHEMBL548385 0.85 AAK1 (0.41) AAK1KMT2APOLBMAPTPKM
SCHEMBL548423 0.81 KMT2A (0.50) AAK1KMT2APOLBNISCHMAPT
SCHEMBL548417 0.79 KMT2A (0.54) AAK1KMT2APOLBNISCHMAPT
SCHEMBL548267 0.79 MAPT (0.52) AAK1KMT2APOLBNISCHMAPT
SCHEMBL5290113 0.78 CYP3A4 (0.39) KMT2APOLBNISCHPRKCITBK1
SCHEMBL548368 0.77 AAK1 (0.40) AAK1KMT2APOLBNISCHTBK1
SCHEMBL548480 0.76 F10 (0.46) AAK1KMT2APOLBNISCHMAPT
SCHEMBL548384 0.76 HTT (0.34) AAK1POLBKDM4E

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 59 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
CN-1829509-A Pharmaceutical composition for treating tumors COMBINATORX INC (US) 2006-09-06 CN claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US 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
US-5578631-A BACTERICIDES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-26 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
EP-2121700-B1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2012-10-03 EP disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS FINSINGER DIRK (DE) 2012-05-24 US disclosed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US disclosed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
EP-0664703-B1 METHODS OF COMBATING (PNEUMOCYSTIS CARINII) PNEUMONIA AND COMPOUNDS USEFUL THEREFOR UNIV NORTH CAROLINA (US) 1999-12-15 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 (4 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-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS TP53, IDH3A, IDH2 AAK1 4800/4885KMT2A 820/4885POLB 2127/4885
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 AAK1 4744/4885KMT2A 770/4885POLB 3145/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC AAK1 4719/4885KMT2A 1679/4885POLB 1245/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR AAK1 4613/4885KMT2A 1305/4885POLB 1214/4885

“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.