SCHEMBL8750751

SCHEMBL8750751

CCNc1cncc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
RAF1 P04049 1/20 0.36
PGK1 P00558 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
USP7 Q93009 2/20 0.33
KCNH2 Q12809 1/20 0.33
SCN10A Q9Y5Y9 1/20 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
SCHEMBL8750774 0.83 CHRNB2 (0.46) RAF1CYP11B1CYP11B2
SCHEMBL14007397 0.79 ALDH1A1 (0.44) RAF1CYP11B1CYP11B2KCNH2SCN10A
SCHEMBL8244430 0.78 SCN10A (0.37) RAF1CYP11B1CYP11B2KCNH2SCN10A
SCHEMBL8750729 0.75 CYP1A2 (0.48) GABRG2GABRB3GABRA5GABRA3EGLN2
SCHEMBL8237778 0.75 KCNH2 (0.46) KCNH2SCN10A
SCHEMBL21605071 0.75 KDM4E (0.47) RAF1CYP11B1CYP11B2SCN10A
SCHEMBL8750888 0.74 XDH (0.41) RAF1CYP11B1CYP11B2KCNH2SCN10A
SCHEMBL21656756 0.74 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3CYP11B1
Hydrochloric Acid SCHEMBL21598403 0.73 KDM4E (0.45) RAF1CYP11B1CYP11B2SCN10A
Hydrochloric Acid SCHEMBL30147906 0.73 KDM4E (0.45) RAF1CYP11B1CYP11B2SCN10A

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
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-3828174-A1 PYRIDAZINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 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 (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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B CHEK1 638/4885GABRG2 3731/4885GABRB3 1998/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 CHEK1 3705/4885GABRG2 1830/4885GABRB3 1611/4885

“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.