SCHEMBL548424

SCHEMBL548424

COc1cc(C(N)=NC(C)C)ccc1-c1ccnc(-c2ccc(C(N)=NC(C)C)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36

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
SCHEMBL29524321 0.81 PRSS1 (0.48) MAPTMEN1KMT2ANPC1MKNK1
SCHEMBL8842473 0.81 PRSS1 (0.48) MAPTMEN1KMT2ANPC1MKNK1
SCHEMBL3604237 0.76 KMT2A (0.33) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL29014990 0.72 NPC1 (0.60) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL30450715 0.72 NPC1 (0.60) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8842460 0.71 MEN1 (0.50) MAPTMEN1KMT2ANPC1CCNT1
SCHEMBL30450701 0.69 NPC1 (0.52) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL29015025 0.69 NPC1 (0.52) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3658282 0.69 MKNK1 (0.54) MKNK1MKNK2CCNT1CDK9ALDH1A1
SCHEMBL8842604 0.69 CYP1A1 (0.49) MAPTMEN1KMT2ANPC1CCNT1

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 85 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
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO 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-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
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-5686456-A DIARYLPYRIMIDINES THE UNIVERSITY OF NORTH CAROLINA (US) 1997-11-11 US disclosed
US-5627184-A BACTERICIDES OF PYRIMIDINE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-06 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 (1 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-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC MAPT 4349/4885MEN1 37/4885KMT2A 1679/4885

“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.