SCHEMBL20135724

SCHEMBL20135724

C[C@H]1CN(C(=O)OCc2ccccc2)C1(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
AGTR2 P50052 1/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL20135340 0.78 HTR2C (0.48) HTR2CPDK1PDK2PDK3PDK4
Water SCHEMBL21518342 0.77 HTR2C (0.47) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL20146366 0.76 HTR2C (0.49) HTR2CPDK1PDK2PDK3PDK4
Water SCHEMBL30131218 0.76 HTR2C (0.46) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL21538653 0.76 HTR2C (0.46) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL20146330 0.75 HTR2C (0.48) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL9183028 0.75 HTR2C (0.43) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL2497439 0.75 PDK1 (0.43) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL20146469 0.75 HTR2C (0.45) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL20146390 0.75 HTT (0.46) HTR2CPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321271-B1 METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF JAPAN TOBACCO INC (JP) 2024-05-29 EP disclosed
US-20240140967-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF LEO PHARMA A/S (DK) 2024-05-02 US disclosed
US-11673900-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAPAN TOBACCO INC. (JP) 2023-06-13 US disclosed
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAPAN TOBACCO INC. (JP) 2022-05-24 US disclosed
US-11312728-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and co-crystals thereof JAPAN TOBACCO INC. (JP) 2022-04-26 US disclosed
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAPAN TOBACCO INC. (JP) 2020-11-03 US disclosed
US-20200216470-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAPAN TOBACCO INC. (JP) 2020-07-09 US disclosed
US-20200165269-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND CO-CRYSTALS THEREOF SHIONOGI & CO., LTD. (JP) 2020-05-28 US disclosed
EP-3560932-A1 METHOD FOR PRODUCING 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AND SYNTHETIC INTERMEDIATE OF SAME Japan Tobacco, Inc. (JP) 2019-10-30 EP disclosed
EP-3559003-A1 CRYSTALLINE FORMS OF A JANUS KINASE INHIBITOR JAPAN TOBACCO INC. (JP) 2019-10-30 EP disclosed
EP-3560931-A1 METHOD FOR PRODUCING 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, AND COCRYSTAL OF SAID DERIVATIVE Japan Tobacco, Inc. (JP) 2019-10-30 EP disclosed
WO-2018117153-A1 CRYSTALLINE FORMS OF A JANUS KINASE INHIBITOR JAPAN TOBACCO INC. (JP) 2018-06-28 WO disclosed
EP-3321271-A1 METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF Japan Tobacco, Inc. (JP) 2018-05-16 EP 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 (7 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-11312728-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and co-crystals thereof JAK1, JAK3, JAK2 HTR2C 1554/4885PDK1 192/4885PDK2 185/4885
US-11673900-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAK1, JAK3, JAK2 HTR2C 1209/4885PDK1 117/4885PDK2 167/4885
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAK1, JAK3, JAK2 HTR2C 2648/4885PDK1 854/4885PDK2 1379/4885
US-20200216470-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 HTR2C 1209/4885PDK1 117/4885PDK2 167/4885
US-20240140967-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 HTR2C 1209/4885PDK1 117/4885PDK2 167/4885
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAK1, JAK3, JAK2 HTR2C 1522/4885PDK1 184/4885PDK2 208/4885
US-20200165269-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND CO-CRYSTALS THEREOF JAK1, JAK3, JAK2 HTR2C 1554/4885PDK1 192/4885PDK2 185/4885

“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.