SCHEMBL549175

SCHEMBL549175

C(=Cc1nc2cc(-c3ncccn3)ccc2[nH]1)CCc1nc2cc(-c3ncccn3)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 3/20 0.33
SNCA P37840 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CHEK1 O14757 1/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MCL1 Q07820 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL549176 0.91 AAK1 (0.41) POLBRAB9AKDM4ESNCASMN1; SMN2
SCHEMBL548445 0.83 RAB9A (0.45) POLBRAB9ANPC1LMNAKDM4E
SCHEMBL548366 0.83 NISCH (0.33) POLBRAB9ANPC1LMNAKDM4E
SCHEMBL548367 0.83 NISCH (0.33) POLBRAB9ANPC1LMNAKDM4E
SCHEMBL549302 0.81 SNCA (0.43) POLBRAB9ANPC1LMNAKDM4E
SCHEMBL549237 0.81 POLB (0.50) POLBRAB9ANPC1LMNAKDM4E
SCHEMBL549362 0.81 POLB (0.54) POLBKDM4EMEN1KMT2APKM
SCHEMBL5308733 0.79 POLB (0.53) POLBKDM4EMEN1KMT2APKM
SCHEMBL549230 0.79 NPC1 (0.37) POLBRAB9ANPC1LMNAKDM4E
SCHEMBL6900646 0.79 POLB (0.40) POLBRAB9ANPC1LMNAKDM4E

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 51 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-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
EP-2033959-B1 Tetrahydropyranoquinoline derivatives MERCK PATENT GMBH (DE) 2011-04-27 EP disclosed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN disclosed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP disclosed
US-20050137185-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INCORPORATED 2005-06-23 US disclosed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US disclosed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 POLB 2127/4885RAB9A 2433/4885NPC1 735/4885
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 POLB 3145/4885RAB9A 1496/4885NPC1 280/4885
US-20050137185-A1 Combinations of drugs for the treatment of neoplasms MKI67, DHFR, IL5 POLB 1802/4885RAB9A 4301/4885NPC1 1992/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC POLB 1245/4885RAB9A 4125/4885NPC1 917/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR POLB 1214/4885RAB9A 4034/4885NPC1 3162/4885

“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.