SCHEMBL548492

SCHEMBL548492

c1cnc(-c2ccc3nc(Cc4nc5ccc(-c6ncccn6)cc5[nH]4)[nH]c3c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.51
TPSAB1 Q15661 3/20 0.51
F2 P00734 3/20 0.51
PRSS1 P07477 2/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
F7 P08709 2/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
GAA P10253 3/20 0.47
PKM P14618 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AAK1 Q2M2I8 3/20 0.45
CACNA1B Q00975 2/20 0.43

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
SCHEMBL548446 0.90 KMT2A (0.53) PKMKDM4EMAPTTDP1AAK1
SCHEMBL549363 0.88 MAPT (0.55) PKMKDM4EMAPTTDP1AAK1
SCHEMBL549238 0.88 KMT2A (0.56) PKMKDM4EMAPTTDP1AAK1
SCHEMBL548491 0.87 F10 (0.43) F10TPSAB1F2PRSS1PLG
SCHEMBL549231 0.86 F2 (0.44) F10TPSAB1F2PRSS1PLG
SCHEMBL548306 0.82 AAK1 (0.41) F10TPSAB1F2PRSS1PLG
SCHEMBL5306800 0.79 RAB9A (0.59) GAAPKMKDM4EMAPTTDP1
SCHEMBL548480 0.78 F10 (0.46) F10TPSAB1F2PRSS1PLG
SCHEMBL549176 0.78 AAK1 (0.41) F10F2F7PKMKDM4E
SCHEMBL548445 0.77 RAB9A (0.45) KDM4EMAPT

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 84 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
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
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
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
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO 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-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
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 F10 1961/4885TPSAB1 1889/4885F2 512/4885
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 F10 4333/4885TPSAB1 1403/4885F2 4176/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC F10 2519/4885TPSAB1 1230/4885F2 2085/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR F10 3617/4885TPSAB1 1037/4885F2 3907/4885

“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.