SCHEMBL21484329

SCHEMBL21484329

C=CC(=O)N(C)c1cccc(Oc2ncnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.47
EGFR P00533 10/20 0.45
BTK Q06187 4/20 0.43
JAK3 P52333 3/20 0.43
JAK2 O60674 2/20 0.43
KCNH2 Q12809 2/20 0.43
JAK1 P23458 1/20 0.43
BLK P51451 1/20 0.43
BMX P51813 1/20 0.43
PRMT5 O14744 2/20 0.42
NUAK1 O60285 1/20 0.42
CTSC P53634 1/20 0.42
EIF2AK2 P19525 1/20 0.42
GSK3B P49841 1/20 0.42
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL21484298 0.92 CSF1R (0.43) EGFRBTKJAK3JAK2JAK1
SCHEMBL29538454 0.92 CSF1R (0.43) EGFRBTKJAK3JAK2JAK1
SCHEMBL21484357 0.90 EGFR (0.45) ERBB2EGFRBTKJAK3JAK2
SCHEMBL21484374 0.86 ERBB2 (0.61) ERBB2EGFRBTKJAK3JAK2
SCHEMBL21515869 0.81 EIF2AK2 (0.43) EGFRBTKJAK3EIF2AK2GSK3B
SCHEMBL21515867 0.81 EIF2AK2 (0.42) EGFRBTKJAK3EIF2AK2GSK3B
SCHEMBL21484300 0.80 CSF1R (0.38) EGFRBTKJAK3BLKPRMT5
SCHEMBL21484291 0.80 ERBB2 (0.48) ERBB2EGFRBTKJAK3JAK2
SCHEMBL21484340 0.79 CTSC (0.55) ERBB2EGFRBTKJAK3JAK2
SCHEMBL21758265 0.79 EGFR (0.47) ERBB2EGFRBTKJAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 ERBB2 317/4885EGFR 1705/4885BTK 1/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK ERBB2 317/4885EGFR 1705/4885BTK 1/4885

“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.