SCHEMBL549293

SCHEMBL549293

N=C(N)c1ccc(-c2ccnc(-c3ccc(C(=N)N)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.59
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.49
PRNP P04156 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
WDR5 P61964 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TOP1 P11387 1/20 0.44
HPGD P15428 1/20 0.44
NQO2 P16083 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL8842387 0.98 MAP4K4 (0.58) MAP4K4MEN1KMT2ANPC1MAPT
SCHEMBL27631215 0.80 WDR5 (0.59) KMT2AWDR5ALDH1A1TOP1HPGD
SCHEMBL8515254 0.79 RARB (0.51) MAP4K4MEN1KMT2ANPC1MAPT
SCHEMBL31060783 0.79 RARB (0.51) MAP4K4MEN1KMT2ANPC1MAPT
SCHEMBL29524321 0.78 PRSS1 (0.48) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL8842473 0.78 PRSS1 (0.48) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL2013410 0.76 WDR5 (0.54) WDR5ALDH1A1TOP1HPGDNQO2
SCHEMBL15876512 0.76 MEN1 (0.55) MAP4K4MEN1KMT2ANPC1MAPT
Hydrochloric Acid SCHEMBL2008037 0.75 WDR5 (0.52) KMT2AWDR5ALDH1A1TOP1HPGD
SCHEMBL397363 0.74 WDR5 (0.56) WDR5ALDH1A1TOP1HPGDNQO2

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 100 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
CN-1829509-A Pharmaceutical composition for treating tumors COMBINATORX INC (US) 2006-09-06 CN 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-5686456-A DIARYLPYRIMIDINES THE UNIVERSITY OF NORTH CAROLINA (US) 1997-11-11 US claimed
US-5627184-A BACTERICIDES OF PYRIMIDINE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-06 US claimed
US-5622955-A ADMINISTERING 2,4-BIS-/4-GUANYLPHENYL/-PYRIMIDINE OR DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-04-22 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
US-5622955-A ADMINISTERING 2,4-BIS-/4-GUANYLPHENYL/-PYRIMIDINE OR DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-04-22 US disclosed
US-5606058-A HAVING REDUCED SIDE EFFECTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-25 US disclosed
US-5521189-A PYRIMIDINE COMPOUNDS AS ANTIPROTOZOA AGENTS THE UNIVERSITY OF NC AT CH (US) 1996-05-28 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 (3 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 MAP4K4 2107/4885MEN1 397/4885KMT2A 770/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC MAP4K4 1685/4885MEN1 37/4885KMT2A 1679/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR MAP4K4 975/4885MEN1 61/4885KMT2A 1305/4885

“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.