SCHEMBL1935146

SCHEMBL1935146

CCOC(CC(C#N)C(=O)O)OCC

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13540002 0.85
SCHEMBL124942 0.83 ALDH1A1 (0.36) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL7750328 0.81 ALDH1A1 (0.32) GAA
SCHEMBL19858951 0.80 NPC1 (0.30) SLC1A3SLC1A2SLC1A1
SCHEMBL8872368 0.79
SCHEMBL1305300 0.76 SLC1A2 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL19204143 0.75 ALDH1A1 (0.33) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL9472675 0.74 THRB (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL3402119 0.74 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL11436394 0.73 TDP1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118191196-A Method for measuring related substances of 4-chloropyrrolopyrimidine by gas chromatography 湖北丽益医药科技有限公司 2024-06-14 CN disclosed
CN-109563098-A The method for preparing chloro- 7H- pyrrolo- [2,3-d] pyrimidine of 4- 斯福瑞(南通)制药有限公司 2019-04-02 CN disclosed
EP-1540013-B1 EVOLVING NEW MOLECULAR FUNCTION HARVARD COLLEGE (US) 2015-07-08 EP disclosed
EP-2758402-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES Pfizer Inc (US) 2014-07-30 EP disclosed
EP-1423400-B2 EVOLVING NEW MOLECULAR FUNCTION HARVARD COLLEGE (US) 2013-05-22 EP disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 WO disclosed
US-20120165228-A1 EVOLVING NEW MOLECULAR FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-28 US disclosed
US-8206914-B2 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-26 US disclosed
US-7998904-B2 Libraries of oligonucleotides created by genetic engineering PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-08-16 US disclosed
US-20110190141-A1 Evolving New Molecular Function PRESIDENT AND FELLOWS OF HAVARD COLLEGE (US) 2011-08-04 US disclosed
US-20040180412-A1 Evolving new molecular function THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-09-16 US disclosed
EP-1423400-A2 EVOLVING NEW MOLECULAR FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-06-02 EP disclosed
WO-2004016767-A2 EVOLVING NEW MOLECULAR FUNCTION THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-02-26 WO disclosed
US-20030113738-A1 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-06-19 US disclosed
WO-2002074929-A2 EVOLVING NEW MOLECULAR FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-09-26 WO disclosed
EP-0923287-A4 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES LILLY CO ELI (US) 2001-08-01 EP disclosed
EP-0923287-A1 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1999-06-23 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
WO-1998008382-A1 NONCLASSICAL PYRROLO[2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
US-4218515-A FOR FLOOR COVERINGS HECKLES JOHN S 1980-08-19 US 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-20120165228-A1 EVOLVING NEW MOLECULAR FUNCTION POLI, PCNA, POLK SLC1A3 4702/4885SLC1A2 4784/4885SLC1A1 4628/4885

“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.