SCHEMBL5453960

SCHEMBL5453960

N#Cc1ccc2nc(Cl)cc(Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
LMNA P02545 1/20 0.40
RHEB Q15382 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
VCAM1 P19320 1/20 0.38
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CDKN1A P38936 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
CYP11B2 P19099 2/20 0.36
ESRRB O95718 1/20 0.36
ESR1 P03372 1/20 0.36
ESRRA P11474 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL29374750 1.00 PIN1 (0.40) PIN1LMNARHEBCA1CA2
SCHEMBL26606901 0.86 KMT2A (0.39) PIN1RHEBCA1CA2VCAM1
SCHEMBL29375294 0.83 PIN1 (0.38) PIN1RHEBCA1CA2KDM1A
SCHEMBL22401515 0.83 PIN1 (0.38) PIN1RHEBCA1CA2KDM1A
SCHEMBL4785913 0.83 LMNA (0.62) PIN1LMNARHEBKDM1ACYP11B2
SCHEMBL30540334 0.80 NT5E (0.60) PIN1LMNAKDM4EHIF1ACYP11B2
SCHEMBL22401516 0.79 TRPV4 (0.43) PIN1LMNAHIF1ANT5E
SCHEMBL29374256 0.79 TRPV4 (0.43) PIN1LMNAHIF1ANT5E
SCHEMBL7505331 0.75 PIN1 (0.40) PIN1LMNARHEBCA1CA2
SCHEMBL730084 0.75 PDE5A (0.49) VCAM1CCNCCDK8CDKN1ACDK19

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
EP-3708568-B1 COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF HEFEI INDUSTRIAL PHARMACEUTICAL INST CO LTD (CN) 2022-02-09 EP disclosed
US-11161860-B2 Compound having effects of inhibiting phosphodiesterase 4, preparation method thereof and pharmaceutical use thereof Hefei Industrial Pharmaceutical Institute Co., Ltd (CN) 2021-11-02 US disclosed
US-20210179640-A1 COMPOUND HAVING EFFECTS OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HEFEI INDUSTRIAL PHARMACEUTICAL INSTITUTE CO., LTD. (CN) 2021-06-17 US disclosed
EP-3708568-A1 COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF Hefei Industrial Pharmaceutical Institute Co., Ltd (CN) 2020-09-16 EP disclosed
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 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 (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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA PIN1 964/4885LMNA 4382/4885RHEB 3158/4885
US-20210179640-A1 COMPOUND HAVING EFFECTS OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF PDE4A, PDE3B, PDE4B PIN1 2012/4885LMNA 2986/4885RHEB 3411/4885
US-11161860-B2 Compound having effects of inhibiting phosphodiesterase 4, preparation method thereof and pharmaceutical use thereof PDE4A, PDE3B, PDE4B PIN1 2012/4885LMNA 2986/4885RHEB 3411/4885

“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.