SCHEMBL21484313

SCHEMBL21484313

C[Si](C)(C)CCOCn1c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc2c(Cl)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 4/20 0.37
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
JAK2 O60674 10/20 0.35
JAK3 P52333 9/20 0.35
PTK2 Q05397 6/20 0.35
ACP1 P24666 1/20 0.35
TYK2 P29597 3/20 0.34
SRC P12931 1/20 0.34
STK10 O94804 1/20 0.33
ABL1 P00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CSF1R P07333 1/20 0.33
FLT1 P17948 1/20 0.33
CYP2C19 P33261 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
STAT1 P42224 1/20 0.33

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
SCHEMBL30703117 0.86 HRH3 (0.36) JAK1HSP90AA1JAK2JAK3TYK2
SCHEMBL21484352 0.86 HRH3 (0.36) JAK1HSP90AA1JAK2JAK3TYK2
SCHEMBL30862663 0.83 NPC1 (0.35) MEN1KMT2APDE1B
SCHEMBL21484350 0.80 PIM1 (0.40) KCNH2ACVR1
SCHEMBL24541937 0.80 NPC1 (0.36)
SCHEMBL21409297 0.80 NPC1 (0.36)
SCHEMBL30862665 0.79 TDP1 (0.38) KMT2APDE1B
SCHEMBL17290075 0.78 CYP11B1 (0.39)
SCHEMBL17289652 0.78 MCHR1 (0.43) KCNH2
SCHEMBL30694624 0.78 PIK3CD (0.34) MEN1KMT2AJAK2JAK3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2023-03-21 US disclosed
EP-3556761-B1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) 2021-03-03 EP disclosed
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RESEARCH AND DEVELOPMENT (NIP) (CN) 2020-02-27 US disclosed
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RESEARCH AND DEVELOPMENT (NIP) (CN) 2020-02-27 US disclosed
EP-3556761-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF The National Institutes Of Pharmaceutical Research (CN) 2019-10-23 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 (2 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-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof BTK, SYK, ITK MEN1 1126/4885KMT2A 1967/4885JAK1 6/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK MEN1 1126/4885KMT2A 1967/4885JAK1 6/4885

“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.