SCHEMBL20135644

SCHEMBL20135644

CC(Cl)CN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.43
AKR1B1 P15121 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.40
RORC P51449 2/20 0.40
PPARG P37231 2/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 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
SCHEMBL20135643 1.00 MEN1 (0.45) MEN1KMT2AHPGDAKR1B1NPC1
SCHEMBL212272 0.82 AKR1B1 (0.52) MEN1KMT2AAKR1B1NPC1RAB9A
SCHEMBL22038599 0.82 AKT1 (0.45) MEN1KMT2ATSHR
SCHEMBL17986810 0.82 AKT1 (0.45) MEN1KMT2ATSHR
SCHEMBL1948973 0.82 AKT1 (0.45) MEN1KMT2ATSHR
SCHEMBL5512649 0.81 OPRK1 (0.48) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL186172 0.80 MEP1B (0.50) MEN1KMT2AAKR1B1NPC1RAB9A
SCHEMBL6994848 0.79 POLB (0.49) MEN1KMT2ANPC1RAB9ACA12
Ammonia Solution, Strong SCHEMBL27504556 0.79 MEP1B (0.49) MEN1KMT2AAKR1B1NPC1RAB9A
SCHEMBL24325759 0.78 KMT2A (0.43) MEN1KMT2AHPGDNPC1RAB9A

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 MEN1 4139/4885KMT2A 1509/4885HPGD 2175/4885
US-11673900-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAK1, JAK3, JAK2 MEN1 3410/4885KMT2A 1066/4885HPGD 1663/4885
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAK1, JAK3, JAK2 MEN1 2347/4885KMT2A 1033/4885HPGD 4041/4885
US-20200216470-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 MEN1 3410/4885KMT2A 1066/4885HPGD 1663/4885
US-20240140967-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 MEN1 3410/4885KMT2A 1066/4885HPGD 1663/4885
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAK1, JAK3, JAK2 MEN1 4130/4885KMT2A 1361/4885HPGD 957/4885
US-20200165269-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND CO-CRYSTALS THEREOF JAK1, JAK3, JAK2 MEN1 4139/4885KMT2A 1509/4885HPGD 2175/4885

“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.