SCHEMBL3833347

SCHEMBL3833347

CCC(C)=C(CC)C(c1nc2cc(-c3ncccn3)ccc2[nH]1)c1nc2cc(-c3ncccn3)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
MLKL Q8NB16 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6470546 0.83 CYP1A2 (0.36) AAK1KDM4ETAAR1ALDH1A1KMT2A
SCHEMBL3835266 0.83 CYP1A2 (0.36) AAK1KDM4ETAAR1ALDH1A1KMT2A
SCHEMBL3833275 0.79 KDM4E (0.40) AAK1KDM4ELMNAHSD17B10TAAR1
SCHEMBL3830935 0.77 KDM4E (0.46) AAK1KDM4ELMNAHSD17B10TAAR1
SCHEMBL3835038 0.77 KDM4E (0.38) AAK1KDM4ELMNAHSD17B10TAAR1
SCHEMBL5409668 0.76 KDM4E (0.34) AAK1KDM4ELMNAHSD17B10IDO1
SCHEMBL6470551 0.75 AAK1 (0.43) AAK1KMT2AMEN1HTT
SCHEMBL4392245 0.75 ALDH1A1 (0.40) AAK1KDM4ELMNAHSD17B10IDO1
SCHEMBL3830605 0.74 KDM4E (0.39) AAK1KDM4ELMNAHSD17B10TAAR1
SCHEMBL5157813 0.72 LMNA (0.35) LMNA

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 44 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
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-2121700-A1 SUBSTITUTED TETRAHYDROQUINOLINES Merck Patent GmbH (DE) 2009-11-25 EP disclosed
EP-2121706-A1 TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER Merck Patent GmbH (DE) 2009-11-25 EP disclosed
EP-2104664-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN Merck Patent GmbH (DE) 2009-09-30 EP disclosed
WO-2008113451-A1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed
WO-2008113456-A1 TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed
WO-2008080455-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2008-07-10 WO disclosed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP 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
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 (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 AAK1 4719/4885KDM4E 3522/4885LMNA 1033/4885

“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.