SCHEMBL871452

SCHEMBL871452

CC(C)(C)C(=O)OCn1ccc2c(-c3cn[nH]c3)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
JAK2 O60674 2/20 0.35
TPH1 P17752 1/20 0.34
ADAM17 P78536 1/20 0.33
PRMT5 O14744 1/20 0.32
CHUK O15111 4/20 0.32
PDPK1 O15530 1/20 0.32
JAK1 P23458 1/20 0.32
P2RX7 Q99572 1/20 0.32
SCN9A Q15858 1/20 0.32
NAMPT P43490 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL30749810 1.00 SIGMAR1 (0.39) SIGMAR1JAK2TPH1ADAM17PRMT5
SCHEMBL10247590 0.86 SIGMAR1 (0.39) SIGMAR1TPH1PRMT5CHUKPDPK1
SCHEMBL17967355 0.82 SIGMAR1 (0.38) SIGMAR1JAK2TPH1PRMT5PDPK1
SCHEMBL23220225 0.82 SIGMAR1 (0.41) SIGMAR1JAK2TPH1PRMT5JAK1
SCHEMBL30945101 0.82 SIGMAR1 (0.38) SIGMAR1JAK2TPH1PRMT5PDPK1
SCHEMBL28995145 0.81 SIGMAR1 (0.38) SIGMAR1JAK2PRMT5CHUKPDPK1
SCHEMBL19059356 0.81 SIGMAR1 (0.40) SIGMAR1TPH1PRMT5CHUKSCN9A
SCHEMBL24902073 0.81 SIGMAR1 (0.39) SIGMAR1JAK2TPH1PRMT5PDPK1
SCHEMBL28657112 0.81 TPH1 (0.32) TPH1
SCHEMBL19075329 0.79 SIGMAR1 (0.46) SIGMAR1TPH1PRMT5P2RX7SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873706-B2 Process for the preparation of baricitinib and an intermediate thereof SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2018-01-23 US claimed
US-20170327507-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-11-16 US claimed
EP-3227298-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF Sun Pharmaceutical Industries Ltd (IN) 2017-10-11 EP claimed
WO-2016088094-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-06-09 WO claimed
US-20250340559-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2025-11-06 US disclosed
US-12247030-B2 Process for preparing compositions comprising an enantiomeric excess of a substituted pyrrolo[2,3-d]pyrimidine INCYTE HOLDINGS CORPORATION (US) 2025-03-11 US disclosed
EP-4501410-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Holdings Corporation (US) 2025-02-05 EP disclosed
EP-3272738-B1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2024-11-13 EP disclosed
EP-3452039-B1 TREATMENT OF HAIR LOSS DISORDERS WITH DEUTERATED JAK INHIBITORS SUN PHARMACEUTICAL IND INC (US) 2024-07-03 EP disclosed
CN-117517528-A Detection method of related substances in intermediate of ponatinib 安徽迪合永欣药业有限公司 2024-02-06 CN disclosed
US-20230355629-A1 DEUTERATED DERIVATIVES OF RUXOLITINIB SUN PHARMACEUTICAL INDUSTRIES, INC. 2023-11-09 US disclosed
US-20230355629-A1 DEUTERATED DERIVATIVES OF RUXOLITINIB SUN PHARMACEUTICAL INDUSTRIES, INC. 2023-11-09 US disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 US disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 US disclosed
WO-2010083283-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2010-07-22 WO disclosed
WO-2010083283-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2010-07-22 WO disclosed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 US disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 US disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 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 (6 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-12247030-B2 Process for preparing compositions comprising an enantiomeric excess of a substituted pyrrolo[2,3-d]pyrimidine DPYD, TYMS, TYMP SIGMAR1 4082/4885JAK2 2515/4885TPH1 643/4885
US-20170327507-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF JAK1, JAK3, BTK SIGMAR1 3463/4885JAK2 5/4885TPH1 3409/4885
US-20230355629-A1 DEUTERATED DERIVATIVES OF RUXOLITINIB JAK2, JAK1, JAK3 SIGMAR1 2339/4885JAK2 1/4885TPH1 4119/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 SIGMAR1 3743/4885JAK2 2/4885TPH1 2361/4885
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 SIGMAR1 3460/4885JAK2 3/4885TPH1 2776/4885
US-20250340559-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 SIGMAR1 3460/4885JAK2 3/4885TPH1 2776/4885

“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.