SCHEMBL5065220

SCHEMBL5065220

O=C(NCc1ccccc1)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
HDAC1 Q13547 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
JAK2 O60674 3/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
AURKA O14965 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PSMD14 O00487 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45

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
SCHEMBL5058349 0.84 MAPK10 (0.49) MEN1KMT2AJAK2MAPT
SCHEMBL5063561 0.81 PRKDC (0.62) L3MBTL1HDAC1MEN1KMT2AJAK2
SCHEMBL17774907 0.78 JAK2 (0.58) L3MBTL1HDAC1MEN1KMT2AJAK2
SCHEMBL5059599 0.78 KDM4E (0.50) MEN1KMT2AJAK2MAPTSMN1; SMN2
SCHEMBL7090447 0.78 PRKDC (0.56) L3MBTL1HDAC1MEN1KMT2AJAK2
SCHEMBL5055231 0.77 MAPK10 (0.47) L3MBTL1MEN1KMT2AJAK2JAK1
SCHEMBL2088657 0.76 JAK2 (0.47) L3MBTL1HDAC1MEN1KMT2AJAK2
SCHEMBL7090399 0.74 MAPK10 (0.42) HDAC1MEN1KMT2AJAK2JAK1
SCHEMBL3278485 0.74 MAPK1 (0.65) HDAC1HSD17B10KLKB1KLK1ALDH1A1
SCHEMBL5058532 0.70 PRKDC (0.55) HDAC1MEN1KMT2AJAK2JAK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (2 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 L3MBTL1 2707/4885HDAC1 542/4885MEN1 2946/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 L3MBTL1 2707/4885HDAC1 542/4885MEN1 2946/4885

“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.