SCHEMBL51650

SCHEMBL51650

Nc1ccn([C@@]2(Br)C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.46
PDE4D Q08499 1/20 0.46
SLC29A1 Q99808 1/20 0.46
LMNA P02545 5/20 0.46
MTOR P42345 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CACNA1F O60840 2/20 0.40
ALB P02768 2/20 0.40
MAPT P10636 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DNMT1 P26358 2/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL27544566 1.00 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
Pyrimidine SCHEMBL7857437 0.93 PDE3A (0.41) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL28379714 0.84 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL3424602 0.84 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL1939478 0.84 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
Mercaptopurine Anhydrous SCHEMBL9952688 0.84 PDE3A (0.37) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL4971926 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL992472 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL3038818 0.83 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL7794942 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR

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 1680 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4086250-B1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND MTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2024-12-11 EP claimed
CN-111053903-A Application of compound of nucleic acid analogue carrying resonance atom 深圳市纳诺艾医疗科技有限公司 2020-04-24 CN claimed
EP-2935331-B1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF ABBVIE INC (US) 2018-02-28 EP claimed
US-9296687-B2 Modulators of HSP70/DnaK function and methods of use thereof FOX CHASE CANCER CENTER (US) 2016-03-29 US claimed
EP-2935331-A1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF AbbVie Inc. (US) 2015-10-28 EP claimed
US-8957014-B2 Sensitization of tumor cells to radiation therapy through administration of endothelin agonists SPECTRUM PHARMACEUTICALS, INC. (US) 2015-02-17 US claimed
US-20140227294-A1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF ABBVIE INC. (US) 2014-08-14 US claimed
WO-2014105810-A1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF ABBVIE INC. (US) 2014-07-03 WO claimed
US-20140087005-A1 MODULATORS OF HSP70/DNAK FUNCTION AND METHODS OF USE THEREOF FOX CHASE CANCER CENTER (US) 2014-03-27 US claimed
US-20130150649-A1 SENSITIZATION OF TUMOR CELLS TO RADIATION THERAPY THROUGH ADMINISTRATION OF ENDOTHELIN AGONISTS SPECTRUM PHARMACEUTICALS, INC. (US) 2013-06-13 US claimed
JP-2006508086-A 2006-03-09 JP claimed
US-20060003987-A1 Compounds and their uses GUILFORD PHARMACEUTICALS, INC. (US) 2006-01-05 US claimed
EP-1556073-A2 METHOD AND COMPOSITION FOR PREVENTING AND TREATING SOLID TUMORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-07-27 EP claimed
WO-2005027907-A1 USE OF CHK1 INHIBITORS TO CONTROL CELL PROLIFERATION ICOS CORPORATION (US) 2005-03-31 WO claimed
WO-2004085418-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS LUITPOLD PHARMACEUTICALS, INC. (US) 2004-10-07 WO claimed
US-20040138121-A1 Method and composition for preventing and treating solid tumors DONEHEW FUND LIMITED PARTNERSHIP 2004-07-15 US claimed
WO-2004037235-A2 METHOD AND COMPOSITION FOR PREVENTING AND TREATING SOLID TUMORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-05-06 WO claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040138121-A1 Method and composition for preventing and treating solid tumors EDNRB, EDNRA, PGF PDE3A 83/4885PDE4D 1588/4885SLC29A1 3711/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 PDE3A 1236/4885PDE4D 1172/4885SLC29A1 2976/4885
US-20140227294-A1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF PRLHR, LHCGR, FCGR2A PDE3A 2134/4885PDE4D 1256/4885SLC29A1 2279/4885
US-20140087005-A1 MODULATORS OF HSP70/DNAK FUNCTION AND METHODS OF USE THEREOF HSPBP1, HSPE1, HSP90B1 PDE3A 4584/4885PDE4D 4247/4885SLC29A1 3784/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PDE3A 1717/4885PDE4D 2096/4885SLC29A1 1869/4885

“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.