SCHEMBL3852207

SCHEMBL3852207

CC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.47
KIF11 P52732 1/20 0.41
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
GRIN2D O15399 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN2B Q13224 2/20 0.39
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCNE1 P24864 4/20 0.37
CDK2 P24941 4/20 0.37
CDK7 P50613 4/20 0.37
CCNH P51946 4/20 0.37
CDK1 P06493 3/20 0.37
CCNB1 P14635 3/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 2/20 0.35
SLC6A4 P31645 1/20 0.34

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
SCHEMBL3854524 1.00 KCNN4 (0.47) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL6565005 1.00 KCNN4 (0.47) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL3853261 0.86 KCNN4 (0.50) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL3666885 0.86 KCNN4 (0.50) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL4484584 0.86 KCNN4 (0.50) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL3307096 0.86 KCNN4 (0.50) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL3853041 0.83 KCNN4 (0.47) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL3856263 0.83 KCNN4 (0.47) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL3862734 0.83 KCNN4 (0.50) KCNN4KIF11GRIN1GRIN2AGRIN2D
SCHEMBL3862881 0.83 KCNN4 (0.50) KCNN4KIF11GRIN1GRIN2AGRIN2D

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 29 patents — showing the first 20. 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-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
EP-1534708-B1 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LTD (GB) 2006-04-26 EP disclosed
US-20050256142-A1 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 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-11-17 US disclosed
EP-1399446-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2005-08-03 EP disclosed
EP-1534708-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Cyclacel Limited (GB) 2005-06-01 EP disclosed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP disclosed
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-01-13 US disclosed
EP-1399446-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2004-03-24 EP disclosed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 WO disclosed
WO-2004016613-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LIMITED (GB) 2004-02-26 WO disclosed
WO-2003002565-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2003-01-09 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 (4 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 KCNN4 3059/4885KIF11 4675/4885GRIN1 1404/4885
US-20050256142-A1 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 CDK1, CDK2, CCND1 KCNN4 2699/4885KIF11 3481/4885GRIN1 2079/4885
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 KCNN4 2783/4885KIF11 3633/4885GRIN1 4105/4885
US-20090270427-A1 PURINE DERIVATIVES C5, CYC1, CCNH KCNN4 2947/4885KIF11 4687/4885GRIN1 1744/4885

“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.