SCHEMBL20150874

SCHEMBL20150874

C=CC(=O)Nc1cccc(Oc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.56
CSF1R P07333 6/20 0.53
EGFR P00533 5/20 0.50
BTK Q06187 2/20 0.48
RAF1 P04049 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45

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 0.93 EGFR (0.50) JAK3CSF1REGFRBTK
SCHEMBL21484353 0.92 EGFR (0.49) JAK3CSF1REGFRBTK
SCHEMBL21516226 0.91 JAK3 (0.49) JAK3CSF1REGFRBTKKCNH2
SCHEMBL21484328 0.90 EGFR (0.47) JAK3CSF1REGFRBTKRAF1
SCHEMBL30294159 0.90 EGFR (0.47) JAK3CSF1REGFRBTK
SCHEMBL21484330 0.90 EGFR (0.47) JAK3CSF1REGFRBTK
SCHEMBL29538631 0.89 JAK3 (0.55) JAK3CSF1REGFRBTKKCNH2
SCHEMBL21484358 0.89 JAK3 (0.55) JAK3CSF1REGFRBTKKCNH2
SCHEMBL21484311 0.87 EGFR (0.47) JAK3CSF1REGFRBTKKCNH2
SCHEMBL21484322 0.87 BTK (0.56) JAK3CSF1REGFRBTK

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
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
WO-2018088780-A1 NOVEL PYRROLOPYRIMIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-05-17 WO 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 JAK3 33/4885CSF1R 1471/4885EGFR 1705/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK JAK3 33/4885CSF1R 1471/4885EGFR 1705/4885

“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.