SCHEMBL21621322

SCHEMBL21621322

CCOc1cc2c(cc1OC)-c1cc(Cl)nc(=O)n1CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
ATM Q13315 1/20 0.63
KDM4E B2RXH2 9/20 0.63
ALDH1A1 P00352 8/20 0.63
HPGD P15428 7/20 0.63
HSD17B10 Q99714 7/20 0.63
MAPT P10636 4/20 0.63
TSHR P16473 4/20 0.63
LMNA P02545 2/20 0.63
GPR84 Q9NQS5 7/20 0.61
MAPK1 P28482 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 1/20 0.59
POLB P06746 2/20 0.59
HTT P42858 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
PDE4A P27815 4/20 0.57
ACHE P22303 1/20 0.57

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
SCHEMBL21621331 0.94 KMT2A (0.56) KMT2AMEN1ATMKDM4EALDH1A1
SCHEMBL30640051 0.92 ALDH1A1 (0.67) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5117237 0.92 ALDH1A1 (0.67) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL30798841 0.86 ALDH1A1 (0.60) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL25773448 0.86 GPR84 (0.77) KMT2AMEN1ATMKDM4EALDH1A1
SCHEMBL25773161 0.86 GPR84 (0.77) KMT2AMEN1ATMKDM4EALDH1A1
SCHEMBL10907555 0.85 GPR84 (0.78) KMT2AMEN1ATMKDM4EALDH1A1
SCHEMBL31620955 0.84 ALDH1A1 (0.57) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL21621337 0.82 KMT2A (0.44) KMT2AMEN1ATMKDM4EALDH1A1
SCHEMBL14137941 0.78 ALDH1A1 (0.68) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 US disclosed
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 US disclosed
US-20210323960-A1 FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-10-21 US disclosed
WO-2021143841-A1 PHARMACEUTICAL COMPOSITION OF TRICYCLIC PDE3/PDE4 DUAL INHIBITOR COMPOUND 正大天晴药业集团股份有限公司 2021-07-22 WO disclosed
WO-2021143843-A1 CRYSTAL OF PDE3/PDE4 DUAL INHIBITOR AND USE THEREOF 正大天晴药业集团股份有限公司 2021-07-22 WO disclosed
EP-3822272-A1 FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-05-19 EP disclosed
WO-2020011254-A1 FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR 正大天晴药业集团股份有限公司 2020-01-16 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-20210323960-A1 FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR PDE3B, PDE4A, PDE3A KMT2A 2162/4885MEN1 4429/4885ATM 2321/4885
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF CYP4A11, CYP11B2, NQO1 KMT2A 1050/4885MEN1 1689/4885ATM 3124/4885

“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.