SCHEMBL21484328

SCHEMBL21484328

C=CC(=O)Nc1cccc(Oc2ncnc3[nH]c(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
BTK Q06187 3/20 0.47
JAK3 P52333 2/20 0.47
CSF1R P07333 2/20 0.42
ERBB2 P04626 3/20 0.41
CTSC P53634 2/20 0.41
KIT P10721 1/20 0.41
BRAF P15056 3/20 0.41
RAF1 P04049 2/20 0.41
MAP2K7 O14733 1/20 0.41
EIF2AK2 P19525 1/20 0.41
GSK3B P49841 1/20 0.41
JAK2 O60674 1/20 0.40
BLK P51451 1/20 0.40
BMX P51813 1/20 0.40

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
SCHEMBL21484289 0.92 EGFR (0.50) EGFRBTKJAK3CSF1RERBB2
SCHEMBL21516226 0.92 JAK3 (0.49) EGFRBTKJAK3CSF1RERBB2
SCHEMBL21484353 0.92 EGFR (0.49) EGFRBTKJAK3CSF1RERBB2
SCHEMBL20150874 0.90 JAK3 (0.56) EGFRBTKJAK3CSF1RRAF1
SCHEMBL30294159 0.89 EGFR (0.47) EGFRBTKJAK3CSF1RERBB2
SCHEMBL21484330 0.89 EGFR (0.47) EGFRBTKJAK3CSF1RERBB2
SCHEMBL21484299 0.89 ERBB2 (0.51) EGFRBTKJAK3ERBB2CTSC
SCHEMBL21484311 0.88 EGFR (0.47) EGFRBTKJAK3CSF1RERBB2
SCHEMBL21484356 0.87 EGFR (0.46) EGFRBTKJAK3CSF1RERBB2
SCHEMBL21484279 0.85 EGFR (0.48) EGFRJAK3CSF1RERBB2JAK2

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
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
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 EGFR 1705/4885BTK 1/4885JAK3 33/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK EGFR 1705/4885BTK 1/4885JAK3 33/4885

“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.