SCHEMBL548346

SCHEMBL548346

c1cc2sc3ccc(C4=NCCN4)cc3c2cc1C1=NCCN1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.54
PRMT1 Q99873 1/20 0.53

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
Hydrochloric Acid SCHEMBL7050789 0.98 LMNA (0.53) NISCHPRMT1
SCHEMBL6363591 0.81 NISCH (0.59) NISCHPRMT1
Hydrochloric Acid SCHEMBL6363441 0.79 NISCH (0.58) NISCHPRMT1
SCHEMBL10622706 0.77 KDM4E (0.50) NISCHPRMT1
SCHEMBL5476725 0.77 NISCH (0.79) NISCH
SCHEMBL20184760 0.76 PRMT1 (0.64) NISCHPRMT1
SCHEMBL549207 0.76 TOP2A (0.57) NISCHPRMT1
SCHEMBL13135587 0.76 NISCH (0.86) NISCHPRMT1
Hydrochloric Acid SCHEMBL7761917 0.75 TOP2A (0.58) NISCHPRMT1
Hydrochloric Acid SCHEMBL5562588 0.74 NISCH (0.83) NISCHPRMT1

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 57 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
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP 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
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US 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-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 NISCH 321/4885PRMT1 26/4885
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 NISCH 967/4885PRMT1 2728/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC NISCH 284/4885PRMT1 2584/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR NISCH 802/4885PRMT1 1095/4885

“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.