SCHEMBL21484350

SCHEMBL21484350

CN1CCN(c2ccc(-c3cc4c(Cl)ncnc4n3COCC[Si](C)(C)C)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
PIM3 Q86V86 1/20 0.40
CDC7 O00311 1/20 0.36
CDK9 P50750 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
ALK Q9UM73 1/20 0.35
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FYN P06241 2/20 0.35
DGAT1 O75907 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
CNR1 P21554 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL17289763 0.87 TBK1 (0.34) PIM1PIM3CDC7CDK9MAPT
SCHEMBL25223120 0.84 SMN1; SMN2 (0.42) CDK9MAPTALKLMNACNR1
SCHEMBL21484370 0.84 PIM1 (0.40) PIM1PIM3CDC7CDK9ALK
SCHEMBL29538822 0.84 PIM1 (0.40) PIM1PIM3CDC7CDK9ALK
SCHEMBL21409297 0.83 NPC1 (0.36) NPC1MAPTDGAT1
SCHEMBL24541937 0.83 NPC1 (0.36) NPC1MAPT
SCHEMBL30862665 0.82 TDP1 (0.38) NPC1RAB9AMAPTLMNADGAT1
SCHEMBL30862663 0.82 NPC1 (0.35) NPC1MAPTFYNDGAT1
SCHEMBL17289652 0.81 MCHR1 (0.43) HRH3KCNH2HTR1A
SCHEMBL17289994 0.80 CNR2 (0.43) DGAT1

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 8 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
CN-110072865-B Pyrrolo-aromatic heterocyclic compounds, preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-02-11 CN 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
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
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 PIM1 44/4885PIM3 294/4885CDC7 404/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK PIM1 44/4885PIM3 294/4885CDC7 404/4885

“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.