SCHEMBL7086069

SCHEMBL7086069

Nc1c(Nc2ccc(F)nc2)c(=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
TDO2 P48775 3/20 0.33
IDO1 P14902 2/20 0.33
MAPKAPK2 P49137 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SYK P43405 1/20 0.31
POLB P06746 1/20 0.31
CSF1R P07333 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.30

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
SCHEMBL18028562 0.80 IDO1 (0.44) TDO2IDO1MAPKAPK2SMN1; SMN2POLB
SCHEMBL7559307 0.80 BACE2 (0.42) JAK2JAK1
SCHEMBL7092619 0.73 IDO1 (0.32) IDO1
SCHEMBL7346763 0.71 TDO2 (0.50) JAK1TDO2NPC1RAB9A
SCHEMBL4538709 0.69 MAPKAPK2 (0.50) MAPKAPK2
SCHEMBL21597116 0.69 MAPT (0.50) TDO2SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL17427534 0.69 HDAC1 (0.46) TDO2HDAC1
SCHEMBL17427536 0.69 CXCR2 (0.52) IDO1
SCHEMBL7091792 0.68 RAPGEF4 (0.51) TDO2IDO1SMN1; SMN2POLBNPC1
SCHEMBL31240203 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 KCNQ3 44/4885KCNQ2 36/4885JAK2 4623/4885

“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.