SCHEMBL3373407

SCHEMBL3373407

c1cc(-c2cn[nH]c2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.64
AKT1 P31749 1/20 0.64
CHEK1 O14757 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
IDO1 P14902 1/20 0.48
CLK1 P49759 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
NOTUM Q6P988 1/20 0.44
ROCK2 O75116 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL15689115 0.85 AKT2 (0.76) AKT2AKT1ROCK2
SCHEMBL16432987 0.85 AKT2 (0.76) AKT2AKT1ROCK2
SCHEMBL3740850 0.82 AKT2 (0.70) AKT2AKT1CHEK1MAPK1LMNA
Hydrochloric Acid SCHEMBL28973063 0.79 AKT2 (0.67) AKT2AKT1CHEK1MAPK1LMNA
SCHEMBL82741 0.78 AKT2 (1.00) AKT2AKT1CHEK1IDO1CLK1
Benzene SCHEMBL28198087 0.78 AKT2 (1.00) AKT2AKT1CHEK1IDO1CLK1
SCHEMBL6484211 0.77 AKT2 (0.54) AKT2AKT1CHEK1MAPK1MAPT
SCHEMBL6196346 0.77
SCHEMBL2306002 0.77 AKT1 (0.48) AKT2AKT1CHEK1MAPK1MAPT
SCHEMBL16872766 0.76 AKT2 (0.95) AKT2AKT1CHEK1CLK1ROCK2

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371401-B 4- (1H-pyrazol-4-yl) pyridine derivative targeting gram-negative bacterial lipoprotein transport pathway, composition and application thereof 四川大学 2025-03-25 CN claimed
EP-3814360-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-10-02 EP claimed
CN-118374005-A Zinc coordination polymer for photocatalytic degradation of antibiotics and preparation method thereof 平顶山学院 2024-07-23 CN claimed
CN-118146523-A Cadmium coordination polymer and preparation method and application thereof 平顶山学院 2024-06-07 CN claimed
CN-117903446-A Cu-MOFs crystal material and preparation method and application thereof 五邑大学 2024-04-19 CN claimed
CN-109590023-B Palladium-containing supramolecular catalyst based on flexible imidazole ligand as well as preparation and application thereof 北京工业大学 2021-10-01 CN claimed
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US claimed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 EP claimed
CN-102026970-B Biaryl PDE4 inhibitors for the treatment of pulmonary and cardiovascular disorders DECODE GENETICS EHF 2013-07-31 CN claimed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US claimed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US claimed
CN-102089279-A Biaryl PDE4 inhibitors for treating inflammation DECODE GENETICS EHF 2011-06-08 CN claimed
CN-102026970-A Biaryl PDE4 inhibitors for the treatment of pulmonary and cardiovascular disorders DECODE GENETICS EHF 2011-04-20 CN claimed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP claimed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP claimed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US claimed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US claimed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO claimed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO claimed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B AKT2 1263/4885AKT1 1142/4885CHEK1 4073/4885
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKT2 916/4885AKT1 678/4885CHEK1 4471/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKT2 916/4885AKT1 678/4885CHEK1 4471/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B AKT2 1263/4885AKT1 1142/4885CHEK1 4073/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKT2 916/4885AKT1 678/4885CHEK1 4471/4885

“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.