SCHEMBL548446

SCHEMBL548446

c1cnc(-c2ccc3nc(CCc4nc5ccc(-c6ncccn6)cc5[nH]4)[nH]c3c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
AAK1 Q2M2I8 3/20 0.51
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAD52 P43351 1/20 0.45
UBE2N P61088 1/20 0.45
IDO1 P14902 1/20 0.45
NPC1 O15118 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
APEX1 P27695 1/20 0.44

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
SCHEMBL549238 0.94 KMT2A (0.56) KMT2APOLBAAK1MAPTRAB9A
SCHEMBL549363 0.94 MAPT (0.55) KMT2APOLBAAK1MAPTALDH1A1
SCHEMBL548492 0.90 F10 (0.51) AAK1MAPTPKMKDM4ETDP1
SCHEMBL548445 0.87 RAB9A (0.45) KMT2APOLBMAPTRAB9AALDH1A1
SCHEMBL549231 0.86 F2 (0.44) KMT2APOLBAAK1RAB9ATDP1
SCHEMBL549176 0.83 AAK1 (0.41) KMT2APOLBAAK1MAPTRAB9A
SCHEMBL548454 0.82 AAK1 (0.51) KMT2APOLBAAK1MAPTRAB9A
SCHEMBL548306 0.82 AAK1 (0.41) KMT2APOLBAAK1MAPTRAB9A
SCHEMBL549237 0.81 POLB (0.50) KMT2APOLBMAPTRAB9AALDH1A1
SCHEMBL549362 0.81 POLB (0.54) KMT2APOLBMAPTPKMKDM4E

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-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-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
WO-2005027842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO disclosed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US disclosed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO disclosed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US disclosed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004002430-A2 COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS COMBINATORX INCORPORATED (US) 2004-01-08 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 (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 KMT2A 820/4885POLB 2127/4885AAK1 4800/4885
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 KMT2A 770/4885POLB 3145/4885AAK1 4744/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC KMT2A 1679/4885POLB 1245/4885AAK1 4719/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR KMT2A 1305/4885POLB 1214/4885AAK1 4613/4885

“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.