SCHEMBL7168115

SCHEMBL7168115

Cc1cnccc1NC(=O)c1cn(-c2ccncc2)c2ncccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.58
PDE4A P27815 12/20 0.58
HTR3A P46098 2/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 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
SCHEMBL7173742 0.92 KCNH2 (0.57) KCNH2PDE4AIKBKETBK1
SCHEMBL7175610 0.84 KCNH2 (0.61) KCNH2PDE4A
SCHEMBL7169656 0.84 KCNH2 (0.62) KCNH2PDE4A
SCHEMBL7966418 0.82 PKM (0.44) KCNH2PDE4AIKBKETBK1
SCHEMBL7167976 0.82 PDE4A (0.59) KCNH2PDE4A
SCHEMBL7175570 0.81 PDE4A (0.60) KCNH2PDE4A
SCHEMBL7170288 0.81 KCNH2 (0.59) KCNH2PDE4AHTR3A
SCHEMBL7176811 0.81 PDE4A (0.67) KCNH2PDE4A
SCHEMBL7167073 0.80 KCNH2 (0.86) KCNH2PDE4A
SCHEMBL7169736 0.80 PDE4A (0.64) KCNH2PDE4A

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-6552205-B1 Antileukemia and antitumor agents FLORIDA STATE UNIVERSITY 2003-04-22 US disclosed
US-6541480-B2 Controlling cytokines SUNTORY LIMITED (JP) 2003-04-01 US disclosed
US-6462208-B2 ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY 2002-10-08 US disclosed
US-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2002-01-17 US disclosed
US-20020002292-A1 Antitumor agents HOLTON ROBERT A (US) 2002-01-03 US disclosed
US-6297248-B1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor SUNTORY LIMITED (JP) 2001-10-02 US disclosed
US-5998656-A ANTICANCER, ANTITUMOR AGENTS; LEUKEMIA FLORIDA STATE UNIVERSITY (US) 1999-12-07 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 (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-20020002292-A1 Antitumor agents TP53, MCL1, TOP2A KCNH2 4646/4885PDE4A 2935/4885HTR3A 3367/4885
US-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor PDE3A, PDE5A, PDE3B KCNH2 559/4885PDE4A 4/4885HTR3A 871/4885

“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.