SCHEMBL20323978

SCHEMBL20323978

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
AGTR2 P50052 1/20 0.40
HTT P42858 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
PDE4B Q07343 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL22038886 0.91 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL20323979 0.83 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL20146390 0.80 HTT (0.46) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL20146352 0.80 HTR2C (0.48) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL12547466 0.79 L3MBTL1 (0.40) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL20135340 0.78 HTR2C (0.48) HTR2CSMN1; SMN2NPC1RAB9APDK1
Water SCHEMBL21518342 0.78 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9APDK1
Water SCHEMBL30131218 0.77 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL14761008 0.76 RORC (0.42) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL13435783 0.76 HTT (0.40) HTR2CSMN1; SMN2NPC1RAB9AAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560932-B1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES OF SAME JAPAN TOBACCO INC (JP) 2026-03-11 EP disclosed
US-20250084106-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF LEO PHARMA A/S (DK) 2025-03-13 US disclosed
US-12195481-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAPAN TOBACCO INC. (JP) 2025-01-14 US disclosed
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
CN-110300756-B Process for preparing 7H-pyrrolo [2,3-d ] pyrimidine derivatives and synthetic intermediates therefor 日本烟草产业株式会社 2024-01-02 CN 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-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-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
CN-110099910-B Preparation method of 7H-pyrrolo [2,3-d ] pyrimidine derivative and eutectic crystal thereof 日本烟草产业株式会社 2022-12-20 CN disclosed
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAPAN TOBACCO INC. (JP) 2022-05-24 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-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
WO-2018117153-A1 CRYSTALLINE FORMS OF A JANUS KINASE INHIBITOR JAPAN TOBACCO INC. (JP) 2018-06-28 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 (9 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 1554/4885SMN1; SMN2 4719/4885NPC1 3621/4885
US-11673900-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAK1, JAK3, JAK2 HTR2C 1209/4885SMN1; SMN2 3888/4885NPC1 3928/4885
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAK1, JAK3, JAK2 HTR2C 2648/4885SMN1; SMN2 4747/4885NPC1 3576/4885
US-20200216470-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 HTR2C 1209/4885SMN1; SMN2 3888/4885NPC1 3928/4885
US-12195481-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAK1, JAK3, JAK2 HTR2C 1209/4885SMN1; SMN2 3888/4885NPC1 3928/4885
US-20240140967-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 HTR2C 1209/4885SMN1; SMN2 3888/4885NPC1 3928/4885
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAK1, JAK3, JAK2 HTR2C 1522/4885SMN1; SMN2 4192/4885NPC1 3362/4885
US-20250084106-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 HTR2C 1209/4885SMN1; SMN2 3888/4885NPC1 3928/4885
US-20200165269-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND CO-CRYSTALS THEREOF JAK1, JAK3, JAK2 HTR2C 1554/4885SMN1; SMN2 4719/4885NPC1 3621/4885

“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.