SCHEMBL26048631

SCHEMBL26048631

CCCCCCc1ccc2[nH]ncc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
LTB4R Q15722 1/20 0.38
JAK2 O60674 2/20 0.37
ROCK2 O75116 2/20 0.37
PIM1 P11309 2/20 0.37
GSK3B P49841 2/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CHEK2 O96017 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
AURKB Q96GD4 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37

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
SCHEMBL1574516 0.76 KCNH2 (0.50) KCNH2LTB4R
SCHEMBL5809434 0.73 XDH (0.38) KCNH2DYRK1A
SCHEMBL22986528 0.72 ROCK1 (0.34) JAK2ROCK2PIM1GSK3BAURKA
SCHEMBL10531797 0.72 KCNH2 (0.64) KCNH2LTB4R
SCHEMBL10511946 0.72 KCNH2 (0.64) KCNH2LTB4R
SCHEMBL31026592 0.72 KCNH2 (0.64) KCNH2LTB4R
SCHEMBL15020527 0.72 KCNH2 (0.46) KCNH2
SCHEMBL9228354 0.72 GRIN2B (0.47) JAK2ROCK2PIM1GSK3BAURKA
SCHEMBL28495876 0.72 GRIN2B (0.47) JAK2ROCK2PIM1GSK3BAURKA
SCHEMBL2514450 0.70 KCNH2 (0.61) KCNH2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US 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 (1 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-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS KCNH2 4588/4885LTB4R 1235/4885JAK2 2409/4885

“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.