SCHEMBL22252550

SCHEMBL22252550

Clc1cc(Cl)c2c(Cl)c[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LRRK2 Q5S007 4/20 0.33
CDC7 O00311 2/20 0.33
DAPK3 O43293 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
PAK4 O96013 2/20 0.33
PIM1 P11309 2/20 0.33
PRKACA P17612 2/20 0.33
CSNK1A1 P48729 2/20 0.33
CLK2 P49760 2/20 0.33
GSK3B P49841 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
PRKX P51817 2/20 0.33
CDK5 Q00535 2/20 0.33
MAP4K2 Q12851 2/20 0.33
ROCK1 Q13464 2/20 0.33
DYRK1A Q13627 2/20 0.33

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
SCHEMBL31343187 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1LRRK2CDC7DAPK3
SCHEMBL21610985 0.82 CHEK1 (0.46) HSP90AA1HSP90AB1LRRK2CDC7DAPK3
SCHEMBL20588419 0.77 HSP90AB1 (0.39) HSP90AB1LRRK2CDC7DAPK3PRKD3
SCHEMBL16177859 0.77 LRRK2 (0.57) HSP90AA1HSP90AB1LRRK2ROCK1ROCK2
SCHEMBL31555854 0.71 KDM4E (0.46)
SCHEMBL2594685 0.70 CHUK (0.40) HSP90AA1HSP90AB1LRRK2CHUKNOTUM
SCHEMBL23148057 0.67 MAPK1 (0.32) CHUK
SCHEMBL29721790 0.67 MAPK1 (0.32) CHUK
SCHEMBL20555173 0.64 LRRK2 (0.50) HSP90AA1HSP90AB1LRRK2CHUKTRPA1
SCHEMBL2316808 0.64 CSNK2A1 (0.34) LRRK2CDC7DAPK3PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240844-B2 Pyrrolopyridine derivative and use thereof in prevention and treatment of protein kinase-related disease VORONOI, INC. (KR) 2025-03-04 US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
US-20220064161-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE VORONOI, INC. (KR) 2022-03-03 US disclosed
US-20220064161-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE VORONOI, INC. (KR) 2022-03-03 US disclosed
EP-3915986-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Inc. (KR) 2021-12-01 EP disclosed
EP-3915985-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE Voronoi Co., Ltd. (KR) 2021-12-01 EP disclosed
CN-113574057-A Heteroaryl derivatives and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊 2021-10-29 CN disclosed
WO-2020185044-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2020-09-17 WO disclosed
WO-2020149715-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE 주식회사 보로노이 2020-07-23 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 (3 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-12240844-B2 Pyrrolopyridine derivative and use thereof in prevention and treatment of protein kinase-related disease CLK1, CLK2, CLK3 HSP90AA1 1061/4885HSP90AB1 1118/4885LRRK2 5/4885
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 HSP90AA1 1932/4885HSP90AB1 2049/4885LRRK2 509/4885
US-20220064161-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE CLK1, CLK2, CLK3 HSP90AA1 896/4885HSP90AB1 940/4885LRRK2 4/4885

“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.