SCHEMBL21484300

SCHEMBL21484300

C=CC(=O)N(C)c1cccc(Oc2ncnc3[nH]c(-c4ccccc4N4CCOCC4)cc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.38
EIF2AK2 P19525 1/20 0.37
GSK3B P49841 1/20 0.37
PRMT5 O14744 1/20 0.36
FLT3 P36888 1/20 0.36
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK3 P52333 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 3/20 0.35
BTK Q06187 2/20 0.34
BLK P51451 1/20 0.34
ITK Q08881 1/20 0.34
CHUK O15111 2/20 0.34
INSR P06213 2/20 0.34
MAPK8 P45983 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34
KIT P10721 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.88 CSF1R (0.43) CSF1REIF2AK2GSK3BPRMT5FLT3
SCHEMBL29538454 0.88 CSF1R (0.43) CSF1REIF2AK2GSK3BPRMT5FLT3
SCHEMBL21484359 0.85 JAK3 (0.48) CSF1RJAK3EGFRBTKBLK
SCHEMBL21484285 0.83 CTSC (0.48) CSF1RPRMT5FLT3KMT2AALDH1A1
SCHEMBL21751152 0.82 EGFR (0.40) CSF1RPRMT5FLT3JAK3EGFR
SCHEMBL21484306 0.81 CTSC (0.40) CSF1RPRMT5FLT3JAK3ALDH1A1
SCHEMBL21484329 0.80 ERBB2 (0.47) EIF2AK2GSK3BPRMT5JAK3EGFR
SCHEMBL21484297 0.74 EIF2AK2 (0.39) CSF1REIF2AK2GSK3BJAK3
SCHEMBL21515869 0.74 EIF2AK2 (0.43) CSF1REIF2AK2GSK3BJAK3EGFR
SCHEMBL21515867 0.73 EIF2AK2 (0.42) CSF1REIF2AK2GSK3BFLT3JAK3

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 9 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
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 CSF1R 1471/4885EIF2AK2 3359/4885GSK3B 473/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK CSF1R 1471/4885EIF2AK2 3359/4885GSK3B 473/4885

“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.