SCHEMBL2295604

SCHEMBL2295604

O=C(O)CC(c1ccccc1)n1cnc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.55
NAMPT P43490 5/20 0.46
HPGD P15428 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL12419759 0.91 SLC6A7 (0.55) SLC6A7NAMPTHPGDMEN1KMT2A
SCHEMBL2292946 0.89 SLC6A7 (0.49) SLC6A7NAMPTHPGDMEN1KMT2A
SCHEMBL2300547 0.78 HCAR3 (0.60) HPGDALDH1A1
SCHEMBL11080932 0.74 SLC6A7 (0.85) SLC6A7NAMPTMEN1KMT2AALDH1A1
SCHEMBL19001365 0.73 SLC6A7 (0.71) SLC6A7NAMPTHPGDMEN1KMT2A
SCHEMBL2293265 0.72 RAB9A (0.48) NAMPTHPGDMEN1KMT2APOLB
SCHEMBL3575539 0.72 SLC6A7 (1.00) SLC6A7NAMPTHPGDMEN1KMT2A
SCHEMBL2295024 0.72 RAB9A (0.52) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL2295849 0.71 FGFR1 (0.47) HPGDMEN1KMT2APOLB
SCHEMBL5303602 0.71 FGFR1 (0.47) HPGDMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 SLC6A7 3793/4885NAMPT 1118/4885HPGD 2856/4885

“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.