SCHEMBL3854880

SCHEMBL3854880

CC[C@H](C(=O)OC)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPOR P19235 2/20 0.54
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL3854879 1.00 EPOR (0.54) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL17559702 0.94 EPOR (0.49) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL17559699 0.94 EPOR (0.49) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL24991861 0.88 EPOR (0.58) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL3632576 0.87 L3MBTL1 (0.54) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL83747 0.87 EPOR (0.54) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL7763937 0.87 EPOR (0.54) EPORPOLBALDH1A1HSD17B10KMT2A
SCHEMBL3363612 0.87 EPOR (0.54) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL1697393 0.87 EPOR (0.54) EPORLMNAL3MBTL1POLBALDH1A1
SCHEMBL13673989 0.86 SIGMAR1 (0.47) EPORALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-20090325983-A1 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-12-31 US disclosed
US-20090325983-A1 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-12-31 US disclosed
US-20090325983-A1 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-12-31 US disclosed
US-7582642-B2 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
US-7582642-B2 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
US-7582642-B2 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
EP-1529047-B1 NEW PURINE DERIVATIVES CYCLACEL LTD (GB) 2007-02-21 EP disclosed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP disclosed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 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-20090325983-A1 NEW PURINE DERIVATIVES C5, CYC1, CCNH EPOR 288/4885LMNA 3436/4885L3MBTL1 2714/4885

“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.