SCHEMBL20835944

SCHEMBL20835944

CC(C)(C)OC(=O)N1CCC(c2nc(Br)ccc2NCCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 4/20 0.41
THRB P10828 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL20835964 0.82 GPR119 (0.49) JAK2JAK1TYK2JAK3CNR1
SCHEMBL1727311 0.79 KDM4E (0.46) TRPV3JAK2JAK1TYK2JAK3
SCHEMBL3572206 0.74 MAPK7 (0.49) JAK2JAK1TYK2JAK3GPR119
SCHEMBL14240648 0.72 TRPV3 (0.51) TRPV3ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL12127691 0.72 JAK1 (0.49) TRPV3JAK2JAK1TYK2JAK3
SCHEMBL23923085 0.71 GPR119 (0.47) GPR119
SCHEMBL23316236 0.71 PTPN2 (0.56) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL2063726 0.70 THRB (0.44) TRPV3CNR1MAPTHTTKDM4E
SCHEMBL12127688 0.69 SCN9A (0.52) TRPV3JAK2JAK1TYK2JAK3
SCHEMBL29364363 0.69 BTK (0.49) JAK1ALDH1A1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459953-B1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 2021-06-30 EP disclosed
CN-109153681-B Novel 5H-pyrrolo [2,3-d ] pyrimidin-6 (7H) -one derivatives 大鹏药品工业株式会社 2021-06-04 CN disclosed
US-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-09-26 US disclosed
EP-3459953-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2019-03-27 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 (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-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE RPS6KA1, RPS6KA3, MAPK9 TRPV3 3806/4885JAK2 150/4885JAK1 248/4885

“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.