SCHEMBL21751152

SCHEMBL21751152

C=CC(=O)Nc1cc(Oc2ncnc3[nH]c(-c4ccccc4N4CCOCC4)cc23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.40
CSF1R P07333 2/20 0.39
JAK3 P52333 6/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
FLT3 P36888 1/20 0.38
BTK Q06187 4/20 0.38
BLK P51451 1/20 0.37
ITK Q08881 1/20 0.37
FGFR1 P11362 1/20 0.37
PRMT5 O14744 1/20 0.37
CTSB P07858 1/20 0.37
CTSC P53634 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL21484359 0.88 JAK3 (0.48) EGFRCSF1RJAK3JAK2JAK1
SCHEMBL21484285 0.87 CTSC (0.48) EGFRCSF1RFLT3PRMT5CTSB
SCHEMBL21515947 0.87 JAK3 (0.49) EGFRCSF1RJAK3JAK2JAK1
SCHEMBL29538628 0.87 JAK3 (0.49) EGFRCSF1RJAK3JAK2JAK1
SCHEMBL21484306 0.86 CTSC (0.40) EGFRCSF1RJAK3JAK2JAK1
SCHEMBL21484360 0.85 FLT3 (0.42) EGFRJAK3JAK2JAK1FLT3
SCHEMBL21484300 0.82 CSF1R (0.38) EGFRCSF1RJAK3FLT3BTK
SCHEMBL21484316 0.78 EGFR (0.50) EGFRCSF1RJAK3JAK2JAK1
SCHEMBL21484358 0.76 JAK3 (0.55) EGFRCSF1RJAK3JAK2JAK1
SCHEMBL29538631 0.76 JAK3 (0.55) EGFRCSF1RJAK3JAK2JAK1

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 6 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
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

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 1705/4885CSF1R 1471/4885JAK3 33/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK EGFR 1705/4885CSF1R 1471/4885JAK3 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.